TY  - JOUR
AU  - Validžić, Ivana Lj.
AU  - Mitrić, Miodrag
AU  - Abazović, Nadica
AU  - Jokić, Bojan M.
AU  - Milošević, Aleksandar S.
AU  - Popović, Zoran S.
AU  - Vukajlović, Filip R.
PY  - 2014
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5929
AB  - We report a simple colloidal synthesis of two types of Sb2S3 nanowires with small band gap and high aspect ratio. Field-emission scanning electron and transmission electron microscopies confirmed formation of high aspect ratio Sb2S3 nanowires, separated in the form of bundles and coalesced with each other in long bars. Diffuse reflectance and absorption spectroscopies revealed that the optical band-gap energies of the synthesized nanowires separated in the form of bundles are 1.56 and 1.59 eV, and coalesced with each other in long bars are 1.36 and 1.28 eV, respectively. The structure refinement showed that Sb2S3 powders belong to the orthorhombic structure with space group Pnma (no. 62). It was found that Sb2S3 nanowires separated in the form of bundles predominantly grow along the [0 1 0] direction being in the needle-like shape. The nanowires coalesced with each other in long bars rise in the form of long bars, are ribbon-like in shape and have expressed {1 0 1} facets which grow along the [0 1 0] direction. No peaks in photoluminescence spectra were observed in the spectral range from 250 to 600 nm. In order to shed more light on the experimental results concerning the band-gap energies and, in the literature generally poorly investigated electronic properties of the synthesized material, we performed theoretical calculations of the electronic structure and optical properties of the Sb2S3 samples synthesized here. This was done on the basis of density functional theory with the generalized gradient approximation, and also with an improved version of the exchange potential suggested recently by Tran and Blaha. The main characteristic is the significant improvement of the band gap value.
T2  - Semiconductor Science and Technology
T1  - Structural analysis, electronic and optical properties of the synthesized Sb2S3 nanowires with small band gap
VL  - 29
IS  - 3
DO  - 10.1088/0268-1242/29/3/035007
ER  - 

@article{
author = "Validžić, Ivana Lj. and Mitrić, Miodrag and Abazović, Nadica and Jokić, Bojan M. and Milošević, Aleksandar S. and Popović, Zoran S. and Vukajlović, Filip R.",
year = "2014",
abstract = "We report a simple colloidal synthesis of two types of Sb2S3 nanowires with small band gap and high aspect ratio. Field-emission scanning electron and transmission electron microscopies confirmed formation of high aspect ratio Sb2S3 nanowires, separated in the form of bundles and coalesced with each other in long bars. Diffuse reflectance and absorption spectroscopies revealed that the optical band-gap energies of the synthesized nanowires separated in the form of bundles are 1.56 and 1.59 eV, and coalesced with each other in long bars are 1.36 and 1.28 eV, respectively. The structure refinement showed that Sb2S3 powders belong to the orthorhombic structure with space group Pnma (no. 62). It was found that Sb2S3 nanowires separated in the form of bundles predominantly grow along the [0 1 0] direction being in the needle-like shape. The nanowires coalesced with each other in long bars rise in the form of long bars, are ribbon-like in shape and have expressed {1 0 1} facets which grow along the [0 1 0] direction. No peaks in photoluminescence spectra were observed in the spectral range from 250 to 600 nm. In order to shed more light on the experimental results concerning the band-gap energies and, in the literature generally poorly investigated electronic properties of the synthesized material, we performed theoretical calculations of the electronic structure and optical properties of the Sb2S3 samples synthesized here. This was done on the basis of density functional theory with the generalized gradient approximation, and also with an improved version of the exchange potential suggested recently by Tran and Blaha. The main characteristic is the significant improvement of the band gap value.",
journal = "Semiconductor Science and Technology",
title = "Structural analysis, electronic and optical properties of the synthesized Sb2S3 nanowires with small band gap",
volume = "29",
number = "3",
doi = "10.1088/0268-1242/29/3/035007"
}

Validžić, I. Lj., Mitrić, M., Abazović, N., Jokić, B. M., Milošević, A. S., Popović, Z. S.,& Vukajlović, F. R.. (2014). Structural analysis, electronic and optical properties of the synthesized Sb2S3 nanowires with small band gap. in Semiconductor Science and Technology, 29(3).
https://doi.org/10.1088/0268-1242/29/3/035007

Validžić IL, Mitrić M, Abazović N, Jokić BM, Milošević AS, Popović ZS, Vukajlović FR. Structural analysis, electronic and optical properties of the synthesized Sb2S3 nanowires with small band gap. in Semiconductor Science and Technology. 2014;29(3).
doi:10.1088/0268-1242/29/3/035007 .

Validžić, Ivana Lj., Mitrić, Miodrag, Abazović, Nadica, Jokić, Bojan M., Milošević, Aleksandar S., Popović, Zoran S., Vukajlović, Filip R., "Structural analysis, electronic and optical properties of the synthesized Sb2S3 nanowires with small band gap" in Semiconductor Science and Technology, 29, no. 3 (2014),
https://doi.org/10.1088/0268-1242/29/3/035007 . .

TY  - JOUR
AU  - Šljivančanin, Željko
AU  - Milošević, Aleksandar S.
AU  - Popović, Zoran S.
AU  - Vukajlović, Filip R.
PY  - 2013
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5342
AB  - We used ab initio calculations based on density functional theory (DFT) to investigate the binding of atomic oxygen on graphene, considering adsorption structures with sizes varying from sub-nanometric clusters to infinite overlayers. From an extensive set of studied configurations of oxygen dimers, trimers and tetramers we demonstrated a strong tendency of adsorbates to form close-packed structures. In the high O coverage regime, corresponding to a C/O ratio of 2:1, we identified two very favorable structures with a distribution of O adatoms which enables both the hybridization of all C-2p(z) states from the graphene pi electron network with the O-2p states, as well as the minimization of the electrostatic repulsion between negatively charged O atoms attached to the same side of the graphene sheet. Using DFT results obtained for small clusters we constructed a simple model able to describe the energetics of the O islands with sizes beyond those that can be directly treated by first principles methods. (C) 2012 Elsevier Ltd. All rights reserved.
T2  - Carbon
T1  - Binding of atomic oxygen on graphene from small epoxy clusters to a fully oxidized surface
VL  - 54
SP  - 482
EP  - 488
DO  - 10.1016/j.carbon.2012.12.008
ER  - 

@article{
author = "Šljivančanin, Željko and Milošević, Aleksandar S. and Popović, Zoran S. and Vukajlović, Filip R.",
year = "2013",
abstract = "We used ab initio calculations based on density functional theory (DFT) to investigate the binding of atomic oxygen on graphene, considering adsorption structures with sizes varying from sub-nanometric clusters to infinite overlayers. From an extensive set of studied configurations of oxygen dimers, trimers and tetramers we demonstrated a strong tendency of adsorbates to form close-packed structures. In the high O coverage regime, corresponding to a C/O ratio of 2:1, we identified two very favorable structures with a distribution of O adatoms which enables both the hybridization of all C-2p(z) states from the graphene pi electron network with the O-2p states, as well as the minimization of the electrostatic repulsion between negatively charged O atoms attached to the same side of the graphene sheet. Using DFT results obtained for small clusters we constructed a simple model able to describe the energetics of the O islands with sizes beyond those that can be directly treated by first principles methods. (C) 2012 Elsevier Ltd. All rights reserved.",
journal = "Carbon",
title = "Binding of atomic oxygen on graphene from small epoxy clusters to a fully oxidized surface",
volume = "54",
pages = "482-488",
doi = "10.1016/j.carbon.2012.12.008"
}

Šljivančanin, Ž., Milošević, A. S., Popović, Z. S.,& Vukajlović, F. R.. (2013). Binding of atomic oxygen on graphene from small epoxy clusters to a fully oxidized surface. in Carbon, 54, 482-488.
https://doi.org/10.1016/j.carbon.2012.12.008

Šljivančanin Ž, Milošević AS, Popović ZS, Vukajlović FR. Binding of atomic oxygen on graphene from small epoxy clusters to a fully oxidized surface. in Carbon. 2013;54:482-488.
doi:10.1016/j.carbon.2012.12.008 .

Šljivančanin, Željko, Milošević, Aleksandar S., Popović, Zoran S., Vukajlović, Filip R., "Binding of atomic oxygen on graphene from small epoxy clusters to a fully oxidized surface" in Carbon, 54 (2013):482-488,
https://doi.org/10.1016/j.carbon.2012.12.008 . .

TY  - JOUR
AU  - Validžić, Ivana Lj.
AU  - Abazović, Nadica
AU  - Mitrić, Miodrag
AU  - Lalić, Milan V.
AU  - Popović, Zoran S.
AU  - Vukajlović, Filip R.
PY  - 2013
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5495
AB  - We report the novel colloidal syntheses in organic media of antimony sesquioxide (Sb2O3) spherical nanoparticles (30-250 nm) and octahedron micro- and nanocrystals (100 nm-4 mu m) depending on the synthetic method conditions. It is observed that small differences in the synthetic procedure cause large differences in the very changeable morphology. The structure of Sb2O3 powders was refined down to the R-factors of 9.57, 7.44, 9.19, 9.78, and 8.30 %. The refinement showed that Sb2O3 powder belongs to the cubic crystal type with space group Fd (3) over barm (No. 227). The values of estimated standard deviations, as well as reliability factors, confirmed that the structure of Sb2O3 was well refined. Ultraviolet and visible (UV-Vis) absorption spectroscopy and diffuse reflectance measurements (DRS) reveal that the optical band gap energies found for the Sb2O3 octahedrons and nanoparticles, micro- and nanocrystals, respectively, are quite independent of the synthetic method conditions and synthesized morphology and is found to be between 4.1-4.4 eV. No peaks in both photoluminescence (PL) emission and excitation spectra have been observed for a broad spectral range, typical for this material. In order to discriminate between conflicting experimental results concerning the band gap energy of this compound, we investigated theoretically the electronic structure and optical properties of one of the cubic sesquioxide Sb2O3 samples synthesized here. This has been done on the basis of density functional theory (DFT) with the generalized gradient approximation (GGA) and improved version of exchange potential suggested recently by Tran and Blaha (TB-mBJ). The main characteristic of the calculated TB-mBJ electronic structure is the significant improvement of the band gap value, which is in perfect agreement with our experimental measurements. The real and imaginary parts of the dielectric tensor are also calculated and interpreted in terms of the obtained electronic structure.
T2  - Journal of Nanoparticle Research
T1  - Novel organo-colloidal synthesis, optical properties, and structural analysis of antimony sesquioxide nanoparticles
VL  - 15
IS  - 1
DO  - 10.1007/s11051-012-1347-x
ER  - 

@article{
author = "Validžić, Ivana Lj. and Abazović, Nadica and Mitrić, Miodrag and Lalić, Milan V. and Popović, Zoran S. and Vukajlović, Filip R.",
year = "2013",
abstract = "We report the novel colloidal syntheses in organic media of antimony sesquioxide (Sb2O3) spherical nanoparticles (30-250 nm) and octahedron micro- and nanocrystals (100 nm-4 mu m) depending on the synthetic method conditions. It is observed that small differences in the synthetic procedure cause large differences in the very changeable morphology. The structure of Sb2O3 powders was refined down to the R-factors of 9.57, 7.44, 9.19, 9.78, and 8.30 %. The refinement showed that Sb2O3 powder belongs to the cubic crystal type with space group Fd (3) over barm (No. 227). The values of estimated standard deviations, as well as reliability factors, confirmed that the structure of Sb2O3 was well refined. Ultraviolet and visible (UV-Vis) absorption spectroscopy and diffuse reflectance measurements (DRS) reveal that the optical band gap energies found for the Sb2O3 octahedrons and nanoparticles, micro- and nanocrystals, respectively, are quite independent of the synthetic method conditions and synthesized morphology and is found to be between 4.1-4.4 eV. No peaks in both photoluminescence (PL) emission and excitation spectra have been observed for a broad spectral range, typical for this material. In order to discriminate between conflicting experimental results concerning the band gap energy of this compound, we investigated theoretically the electronic structure and optical properties of one of the cubic sesquioxide Sb2O3 samples synthesized here. This has been done on the basis of density functional theory (DFT) with the generalized gradient approximation (GGA) and improved version of exchange potential suggested recently by Tran and Blaha (TB-mBJ). The main characteristic of the calculated TB-mBJ electronic structure is the significant improvement of the band gap value, which is in perfect agreement with our experimental measurements. The real and imaginary parts of the dielectric tensor are also calculated and interpreted in terms of the obtained electronic structure.",
journal = "Journal of Nanoparticle Research",
title = "Novel organo-colloidal synthesis, optical properties, and structural analysis of antimony sesquioxide nanoparticles",
volume = "15",
number = "1",
doi = "10.1007/s11051-012-1347-x"
}

Validžić, I. Lj., Abazović, N., Mitrić, M., Lalić, M. V., Popović, Z. S.,& Vukajlović, F. R.. (2013). Novel organo-colloidal synthesis, optical properties, and structural analysis of antimony sesquioxide nanoparticles. in Journal of Nanoparticle Research, 15(1).
https://doi.org/10.1007/s11051-012-1347-x

Validžić IL, Abazović N, Mitrić M, Lalić MV, Popović ZS, Vukajlović FR. Novel organo-colloidal synthesis, optical properties, and structural analysis of antimony sesquioxide nanoparticles. in Journal of Nanoparticle Research. 2013;15(1).
doi:10.1007/s11051-012-1347-x .

Validžić, Ivana Lj., Abazović, Nadica, Mitrić, Miodrag, Lalić, Milan V., Popović, Zoran S., Vukajlović, Filip R., "Novel organo-colloidal synthesis, optical properties, and structural analysis of antimony sesquioxide nanoparticles" in Journal of Nanoparticle Research, 15, no. 1 (2013),
https://doi.org/10.1007/s11051-012-1347-x . .

TY  - JOUR
AU  - Milović, Miloš
AU  - Jugović, Dragana
AU  - Cvjetićanin, Nikola
AU  - Uskoković, Dragan
AU  - Milošević, Aleksandar S.
AU  - Popović, Zoran S.
AU  - Vukajlović, Filip R.
PY  - 2013
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5624
AB  - This work presents the synthesis of F-doped LiFePO4/C composite by the specific modification of the recently suggested synthesis procedure based on an aqueous precipitation of precursor material in molten stearic acid, followed by a high temperature treatment. Besides the lattice parameters and the primitive cell volume reductions, compared to the undoped sample synthesized under the same conditions, the Rietveld refinement also shows that fluorine ions preferably occupy specific oxygen sites. Particularly, the best refinement is accomplished when fluorine ions occupy O(2) sites exclusively. By means of up-to-date electronic structure and total energy calculations this experimental finding is theoretically confirmed. Such fluorine doping also produces closing of the gap in the electronic structure and consequently better conductivity properties of the doped compound. In addition, the morphological and electrochemical performances of the synthesized powder are fully characterized. (C) 2013 Elsevier B.V. All rights reserved.
T2  - Journal of Power Sources
T1  - Crystal structure analysis and first principle investigation of F doping in LiFePO4
VL  - 241
SP  - 70
EP  - 79
DO  - 10.1016/j.jpowsour.2013.04.109
ER  - 

@article{
author = "Milović, Miloš and Jugović, Dragana and Cvjetićanin, Nikola and Uskoković, Dragan and Milošević, Aleksandar S. and Popović, Zoran S. and Vukajlović, Filip R.",
year = "2013",
abstract = "This work presents the synthesis of F-doped LiFePO4/C composite by the specific modification of the recently suggested synthesis procedure based on an aqueous precipitation of precursor material in molten stearic acid, followed by a high temperature treatment. Besides the lattice parameters and the primitive cell volume reductions, compared to the undoped sample synthesized under the same conditions, the Rietveld refinement also shows that fluorine ions preferably occupy specific oxygen sites. Particularly, the best refinement is accomplished when fluorine ions occupy O(2) sites exclusively. By means of up-to-date electronic structure and total energy calculations this experimental finding is theoretically confirmed. Such fluorine doping also produces closing of the gap in the electronic structure and consequently better conductivity properties of the doped compound. In addition, the morphological and electrochemical performances of the synthesized powder are fully characterized. (C) 2013 Elsevier B.V. All rights reserved.",
journal = "Journal of Power Sources",
title = "Crystal structure analysis and first principle investigation of F doping in LiFePO4",
volume = "241",
pages = "70-79",
doi = "10.1016/j.jpowsour.2013.04.109"
}

Milović, M., Jugović, D., Cvjetićanin, N., Uskoković, D., Milošević, A. S., Popović, Z. S.,& Vukajlović, F. R.. (2013). Crystal structure analysis and first principle investigation of F doping in LiFePO4. in Journal of Power Sources, 241, 70-79.
https://doi.org/10.1016/j.jpowsour.2013.04.109

Milović M, Jugović D, Cvjetićanin N, Uskoković D, Milošević AS, Popović ZS, Vukajlović FR. Crystal structure analysis and first principle investigation of F doping in LiFePO4. in Journal of Power Sources. 2013;241:70-79.
doi:10.1016/j.jpowsour.2013.04.109 .

Milović, Miloš, Jugović, Dragana, Cvjetićanin, Nikola, Uskoković, Dragan, Milošević, Aleksandar S., Popović, Zoran S., Vukajlović, Filip R., "Crystal structure analysis and first principle investigation of F doping in LiFePO4" in Journal of Power Sources, 241 (2013):70-79,
https://doi.org/10.1016/j.jpowsour.2013.04.109 . .

TY  - JOUR
AU  - Milošević, Aleksandar S.
AU  - Lalić, Milan V.
AU  - Popović, Zoran S.
AU  - Vukajlović, Filip R.
PY  - 2013
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5638
AB  - Within density functional theory (DFT) with the generalized gradient approximation (GGA), GGA plus on-site Coulomb repulsion method, and improved version of the modified Becke-Johnson exchange potential suggested recently by Tran and Blaha [F. Tran, P. Blaha, Phys. Rev. Lett. 102 (2009) 2264011 (TB-mBJ), we investigate the electronic structure and optical properties of noncentrosymmetric multiferroic perovskites PbVO3 and BiCoO3. These two compounds, although similar in lattice distortions and population of crystal-field levels, behave quite differently because of the different interplay between the fundamental Kramers degeneracy and the single-ion anisotropy in them. The main characteristic of the calculated TB-mBJ electronic structures is significant rearrangement of the V and Co 3d states near their valence bands tops when compared to the present and earlier GGA and GGA + U calculations of these compounds. This fact causes the different optical responses of the title compounds as well, which are analyzed and interpreted in terms of the calculated electronic structures. A comparison of the calculated properties with available experimental data indicates that the TB-mBJ approach provides a better description of the electronic and optical properties of PbVO3 and BiCoO3 than the standard GGA and GGA + U approaches. (c) 2013 Elsevier B.V. All rights reserved.
T2  - Optical Materials
T1  - An ab initio study of electronic structure and optical properties of multiferroic perovskites PbVO3 and BiCoO3
VL  - 35
IS  - 10
SP  - 1765
EP  - 1771
DO  - 10.1016/j.optmat.2013.04.033
ER  - 

@article{
author = "Milošević, Aleksandar S. and Lalić, Milan V. and Popović, Zoran S. and Vukajlović, Filip R.",
year = "2013",
abstract = "Within density functional theory (DFT) with the generalized gradient approximation (GGA), GGA plus on-site Coulomb repulsion method, and improved version of the modified Becke-Johnson exchange potential suggested recently by Tran and Blaha [F. Tran, P. Blaha, Phys. Rev. Lett. 102 (2009) 2264011 (TB-mBJ), we investigate the electronic structure and optical properties of noncentrosymmetric multiferroic perovskites PbVO3 and BiCoO3. These two compounds, although similar in lattice distortions and population of crystal-field levels, behave quite differently because of the different interplay between the fundamental Kramers degeneracy and the single-ion anisotropy in them. The main characteristic of the calculated TB-mBJ electronic structures is significant rearrangement of the V and Co 3d states near their valence bands tops when compared to the present and earlier GGA and GGA + U calculations of these compounds. This fact causes the different optical responses of the title compounds as well, which are analyzed and interpreted in terms of the calculated electronic structures. A comparison of the calculated properties with available experimental data indicates that the TB-mBJ approach provides a better description of the electronic and optical properties of PbVO3 and BiCoO3 than the standard GGA and GGA + U approaches. (c) 2013 Elsevier B.V. All rights reserved.",
journal = "Optical Materials",
title = "An ab initio study of electronic structure and optical properties of multiferroic perovskites PbVO3 and BiCoO3",
volume = "35",
number = "10",
pages = "1765-1771",
doi = "10.1016/j.optmat.2013.04.033"
}

Milošević, A. S., Lalić, M. V., Popović, Z. S.,& Vukajlović, F. R.. (2013). An ab initio study of electronic structure and optical properties of multiferroic perovskites PbVO3 and BiCoO3. in Optical Materials, 35(10), 1765-1771.
https://doi.org/10.1016/j.optmat.2013.04.033

Milošević AS, Lalić MV, Popović ZS, Vukajlović FR. An ab initio study of electronic structure and optical properties of multiferroic perovskites PbVO3 and BiCoO3. in Optical Materials. 2013;35(10):1765-1771.
doi:10.1016/j.optmat.2013.04.033 .

Milošević, Aleksandar S., Lalić, Milan V., Popović, Zoran S., Vukajlović, Filip R., "An ab initio study of electronic structure and optical properties of multiferroic perovskites PbVO3 and BiCoO3" in Optical Materials, 35, no. 10 (2013):1765-1771,
https://doi.org/10.1016/j.optmat.2013.04.033 . .

TY  - CONF
AU  - Milović, Miloš
AU  - Vukajlović, Filip R.
AU  - Jugović, Dragana
AU  - Mitrić, Miodrag
AU  - Jokić, Bojan M.
AU  - Cvjetićanin, Nikola
AU  - Milošević, Aleksandar S.
AU  - Popović, Zoran S.
AU  - Uskoković, Dragan
PY  - 2013
UR  - http://dais.sanu.ac.rs/123456789/399
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/7418
AB  - Fluorine-doped, olivine-structured LiFePO4 suitable for cathode material in rechargeable lithium batteries was prepared by aqueous precipitation followed by high temperature treatment at 700°C under slightly reductive atmosphere (Ar+5%H2). The starting materials were equimolar quantities of (NH4)2HPO4, FeSO4·7H2O and LiF. LiF served as both lithium and fluorine source. Besides the lattice parameters and the primitive cell volume reductions, compared to the undoped sample synthesized under the same conditions using LiNO3 as lithium source, the Rietveld refinement also shows that fluorine ions preferably occupy specific oxygen sites. Particularly, the best refinement is accomplished when fluorine ions occupy O(2) sites exclusively. By means of up-to-date electronic structure and total energy calculations this experimental finding is theoretically confirmed. Such fluorine doping also produces closing of the gap in the electronic structure and consequently better conductivity properties of the doped compound. In addition, the morphological and electrochemical performances of the synthesized powders are fully characterized.
PB  - Belgrade : Materials Research Society of Serbia
C3  - The Fifteenth Annual Conference YUCOMAT 2013: Programme and the Book of Abstracts
T1  - Synthesis of f-doped LiFePO4 via precipitation method
SP  - 75
EP  - 75
UR  - https://hdl.handle.net/21.15107/rcub_vinar_7418
ER  - 

@conference{
author = "Milović, Miloš and Vukajlović, Filip R. and Jugović, Dragana and Mitrić, Miodrag and Jokić, Bojan M. and Cvjetićanin, Nikola and Milošević, Aleksandar S. and Popović, Zoran S. and Uskoković, Dragan",
year = "2013",
abstract = "Fluorine-doped, olivine-structured LiFePO4 suitable for cathode material in rechargeable lithium batteries was prepared by aqueous precipitation followed by high temperature treatment at 700°C under slightly reductive atmosphere (Ar+5%H2). The starting materials were equimolar quantities of (NH4)2HPO4, FeSO4·7H2O and LiF. LiF served as both lithium and fluorine source. Besides the lattice parameters and the primitive cell volume reductions, compared to the undoped sample synthesized under the same conditions using LiNO3 as lithium source, the Rietveld refinement also shows that fluorine ions preferably occupy specific oxygen sites. Particularly, the best refinement is accomplished when fluorine ions occupy O(2) sites exclusively. By means of up-to-date electronic structure and total energy calculations this experimental finding is theoretically confirmed. Such fluorine doping also produces closing of the gap in the electronic structure and consequently better conductivity properties of the doped compound. In addition, the morphological and electrochemical performances of the synthesized powders are fully characterized.",
publisher = "Belgrade : Materials Research Society of Serbia",
journal = "The Fifteenth Annual Conference YUCOMAT 2013: Programme and the Book of Abstracts",
title = "Synthesis of f-doped LiFePO4 via precipitation method",
pages = "75-75",
url = "https://hdl.handle.net/21.15107/rcub_vinar_7418"
}

Milović, M., Vukajlović, F. R., Jugović, D., Mitrić, M., Jokić, B. M., Cvjetićanin, N., Milošević, A. S., Popović, Z. S.,& Uskoković, D.. (2013). Synthesis of f-doped LiFePO4 via precipitation method. in The Fifteenth Annual Conference YUCOMAT 2013: Programme and the Book of Abstracts
Belgrade : Materials Research Society of Serbia., 75-75.
https://hdl.handle.net/21.15107/rcub_vinar_7418

Milović M, Vukajlović FR, Jugović D, Mitrić M, Jokić BM, Cvjetićanin N, Milošević AS, Popović ZS, Uskoković D. Synthesis of f-doped LiFePO4 via precipitation method. in The Fifteenth Annual Conference YUCOMAT 2013: Programme and the Book of Abstracts. 2013;:75-75.
https://hdl.handle.net/21.15107/rcub_vinar_7418 .

Milović, Miloš, Vukajlović, Filip R., Jugović, Dragana, Mitrić, Miodrag, Jokić, Bojan M., Cvjetićanin, Nikola, Milošević, Aleksandar S., Popović, Zoran S., Uskoković, Dragan, "Synthesis of f-doped LiFePO4 via precipitation method" in The Fifteenth Annual Conference YUCOMAT 2013: Programme and the Book of Abstracts (2013):75-75,
https://hdl.handle.net/21.15107/rcub_vinar_7418 .

TY  - JOUR
AU  - Lalić, Milan V.
AU  - Popović, Zoran S.
AU  - Vukajlović, Filip R.
PY  - 2012
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5013
AB  - Electronic structure and optical properties of copper tungstate CuWO4 were investigated using density functional theory with improved version of exchange potential suggested recently by Tran and Blaha (2009) [7] (TB-mBJ). The calculated band gap value is found to be in excellent agreement with the recent experimental results. The values of the magnetic moments at the Cu sites and O (3) oxygen atomic sites (closest to the Cu2+ ions in antiferromagnetic chains) are in good agreement with experiments also. The principal characteristic of the calculated electronic structure is significant rearrangement of the Cu 3d states near the valence band top as compared to our earlier PBE and PBE + U calculations of the same compound. This fact causes the different optical response of the CuWO4 as well, which is analyzed and interpreted in terms of calculated electronic structure. A comparison of the calculated properties with available experimental data indicates that the TB-mBJ approach provides a better description of the electronic and optical properties of the CuWO4 compound than the standard PBE and PBE + U approaches. (C) 2012 Elsevier B.V. All rights reserved.
T2  - Computational Materials Science
T1  - Electronic structure and optical properties of CuWO4: An ab initio study
VL  - 63
SP  - 163
EP  - 167
DO  - 10.1016/j.commatsci.2012.05.074
ER  - 

@article{
author = "Lalić, Milan V. and Popović, Zoran S. and Vukajlović, Filip R.",
year = "2012",
abstract = "Electronic structure and optical properties of copper tungstate CuWO4 were investigated using density functional theory with improved version of exchange potential suggested recently by Tran and Blaha (2009) [7] (TB-mBJ). The calculated band gap value is found to be in excellent agreement with the recent experimental results. The values of the magnetic moments at the Cu sites and O (3) oxygen atomic sites (closest to the Cu2+ ions in antiferromagnetic chains) are in good agreement with experiments also. The principal characteristic of the calculated electronic structure is significant rearrangement of the Cu 3d states near the valence band top as compared to our earlier PBE and PBE + U calculations of the same compound. This fact causes the different optical response of the CuWO4 as well, which is analyzed and interpreted in terms of calculated electronic structure. A comparison of the calculated properties with available experimental data indicates that the TB-mBJ approach provides a better description of the electronic and optical properties of the CuWO4 compound than the standard PBE and PBE + U approaches. (C) 2012 Elsevier B.V. All rights reserved.",
journal = "Computational Materials Science",
title = "Electronic structure and optical properties of CuWO4: An ab initio study",
volume = "63",
pages = "163-167",
doi = "10.1016/j.commatsci.2012.05.074"
}

Lalić, M. V., Popović, Z. S.,& Vukajlović, F. R.. (2012). Electronic structure and optical properties of CuWO4: An ab initio study. in Computational Materials Science, 63, 163-167.
https://doi.org/10.1016/j.commatsci.2012.05.074

Lalić MV, Popović ZS, Vukajlović FR. Electronic structure and optical properties of CuWO4: An ab initio study. in Computational Materials Science. 2012;63:163-167.
doi:10.1016/j.commatsci.2012.05.074 .

Lalić, Milan V., Popović, Zoran S., Vukajlović, Filip R., "Electronic structure and optical properties of CuWO4: An ab initio study" in Computational Materials Science, 63 (2012):163-167,
https://doi.org/10.1016/j.commatsci.2012.05.074 . .

TY  - JOUR
AU  - Lalić, Milan V.
AU  - Popović, Zoran S.
AU  - Vukajlović, Filip R.
PY  - 2011
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/4219
AB  - Ab initio calculations based on the density-functional theory have been employed to study the electronic and magnetic properties of copper tungstate CuWO4, as well as its optical characteristics in the ultraviolet region, up to 40 eV. The electronic structure around the band gap is dominated by the O p- and the Cu d-states and it is quite different from the recent spin-restricted calculations of the same compound. The most stable antiferromagnetic state and the values of magnetic moments at Cu sites and 0(3) oxygen atomic sites (closest to Cu2+ ions in zigzag antiferromagnetic chains) are in agreement with experiments. The gap is found to be indirect with the acceptable value only after use of the LDA + U rotationally invariant self-consistent full potential linearized augmented plane wave (FP LAPW) approach. The optical spectra are analyzed, compared, and interpreted in terms of calculated band structures. It is shown that absorption process involves significant energy flow from the O ions to the Cu ions. (C) 2010 Elsevier B.V. All rights reserved.
T2  - Computational Materials Science
T1  - Ab initio study of electronic, magnetic and optical properties of CuWO4 tungstate
VL  - 50
IS  - 3
SP  - 1179
EP  - 1186
DO  - 10.1016/j.commatsci.2010.11.018
ER  - 

@article{
author = "Lalić, Milan V. and Popović, Zoran S. and Vukajlović, Filip R.",
year = "2011",
abstract = "Ab initio calculations based on the density-functional theory have been employed to study the electronic and magnetic properties of copper tungstate CuWO4, as well as its optical characteristics in the ultraviolet region, up to 40 eV. The electronic structure around the band gap is dominated by the O p- and the Cu d-states and it is quite different from the recent spin-restricted calculations of the same compound. The most stable antiferromagnetic state and the values of magnetic moments at Cu sites and 0(3) oxygen atomic sites (closest to Cu2+ ions in zigzag antiferromagnetic chains) are in agreement with experiments. The gap is found to be indirect with the acceptable value only after use of the LDA + U rotationally invariant self-consistent full potential linearized augmented plane wave (FP LAPW) approach. The optical spectra are analyzed, compared, and interpreted in terms of calculated band structures. It is shown that absorption process involves significant energy flow from the O ions to the Cu ions. (C) 2010 Elsevier B.V. All rights reserved.",
journal = "Computational Materials Science",
title = "Ab initio study of electronic, magnetic and optical properties of CuWO4 tungstate",
volume = "50",
number = "3",
pages = "1179-1186",
doi = "10.1016/j.commatsci.2010.11.018"
}

Lalić, M. V., Popović, Z. S.,& Vukajlović, F. R.. (2011). Ab initio study of electronic, magnetic and optical properties of CuWO4 tungstate. in Computational Materials Science, 50(3), 1179-1186.
https://doi.org/10.1016/j.commatsci.2010.11.018

Lalić MV, Popović ZS, Vukajlović FR. Ab initio study of electronic, magnetic and optical properties of CuWO4 tungstate. in Computational Materials Science. 2011;50(3):1179-1186.
doi:10.1016/j.commatsci.2010.11.018 .

Lalić, Milan V., Popović, Zoran S., Vukajlović, Filip R., "Ab initio study of electronic, magnetic and optical properties of CuWO4 tungstate" in Computational Materials Science, 50, no. 3 (2011):1179-1186,
https://doi.org/10.1016/j.commatsci.2010.11.018 . .

TY  - JOUR
AU  - Vukajlović, Filip R.
AU  - Popović, Zoran S.
AU  - Baldereschi, Alfonso
AU  - Šljivančanin, Željko
PY  - 2010
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3922
AB  - By means of ab initio calculations based on density-functional theory we demonstrate that magnetism in monoatomic Fe wires deposited on nanostructured Ir(100) surface can be tuned by their functionalization with hydrogen. The pristine monoatomic Fe wires deposited on nanostructured Ir(100) surface partially covered by H atoms are antiferromagnetic. However, the type of exchange interaction between Fe atoms can be changed by increasing H coverage. At fully hydrogenated Ir surface the Fe wires themselves are decorated with hydrogen, which gives rise to the ferromagnetic coupling between adjacent Fe atoms.
T2  - Physical Review B: Condensed Matter and Materials Physics
T1  - Effect of adsorbed H atoms on magnetism in monoatomic Fe wires at Ir(100)
VL  - 81
IS  - 8
DO  - 10.1103/PhysRevB.81.085425
ER  - 

@article{
author = "Vukajlović, Filip R. and Popović, Zoran S. and Baldereschi, Alfonso and Šljivančanin, Željko",
year = "2010",
abstract = "By means of ab initio calculations based on density-functional theory we demonstrate that magnetism in monoatomic Fe wires deposited on nanostructured Ir(100) surface can be tuned by their functionalization with hydrogen. The pristine monoatomic Fe wires deposited on nanostructured Ir(100) surface partially covered by H atoms are antiferromagnetic. However, the type of exchange interaction between Fe atoms can be changed by increasing H coverage. At fully hydrogenated Ir surface the Fe wires themselves are decorated with hydrogen, which gives rise to the ferromagnetic coupling between adjacent Fe atoms.",
journal = "Physical Review B: Condensed Matter and Materials Physics",
title = "Effect of adsorbed H atoms on magnetism in monoatomic Fe wires at Ir(100)",
volume = "81",
number = "8",
doi = "10.1103/PhysRevB.81.085425"
}

Vukajlović, F. R., Popović, Z. S., Baldereschi, A.,& Šljivančanin, Ž.. (2010). Effect of adsorbed H atoms on magnetism in monoatomic Fe wires at Ir(100). in Physical Review B: Condensed Matter and Materials Physics, 81(8).
https://doi.org/10.1103/PhysRevB.81.085425

Vukajlović FR, Popović ZS, Baldereschi A, Šljivančanin Ž. Effect of adsorbed H atoms on magnetism in monoatomic Fe wires at Ir(100). in Physical Review B: Condensed Matter and Materials Physics. 2010;81(8).
doi:10.1103/PhysRevB.81.085425 .

Vukajlović, Filip R., Popović, Zoran S., Baldereschi, Alfonso, Šljivančanin, Željko, "Effect of adsorbed H atoms on magnetism in monoatomic Fe wires at Ir(100)" in Physical Review B: Condensed Matter and Materials Physics, 81, no. 8 (2010),
https://doi.org/10.1103/PhysRevB.81.085425 . .

TY  - JOUR
AU  - Borjan, Zoran
AU  - Popović, Zoran S.
AU  - Šljivančanin, Željko
AU  - Vukajlović, Filip R.
PY  - 2008
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3483
AB  - By means of first-principles calculations using spin-polarized generalized gradient approximation method and ultrasoft pseudopotentials, the electronic and magnetic structure of the recently synthesized orthorhombic phase of bilayer manganite Ca(2.5)Sr(0.5)GaMn(2)O(8) compound is obtained. Our calculations have shown that the specific antiferromagnetic ordering, in accordance with experimental findings, is the most stable one. The total energies calculated for the several possible magnetic states of the title compound in the orthorhombic phase enable us to estimate spin exchange interactions for nearest J(nn)=-1.60 meV and next(-) nearest neighbors J(nnn)=-0.21 meV. Calculated Curie-Weiss temperature in the mean-field approximation is in excellent agreement with the measured magnetic phase transition temperature.
T2  - Physical Review B: Condensed Matter and Materials Physics
T1  - Electronic properties of bilayered manganite Ca(2.5)Sr(0.5)GaMn(2)O(8) from first-principles calculations
VL  - 77
IS  - 21
DO  - 10.1103/PhysRevB.77.212402
ER  - 

@article{
author = "Borjan, Zoran and Popović, Zoran S. and Šljivančanin, Željko and Vukajlović, Filip R.",
year = "2008",
abstract = "By means of first-principles calculations using spin-polarized generalized gradient approximation method and ultrasoft pseudopotentials, the electronic and magnetic structure of the recently synthesized orthorhombic phase of bilayer manganite Ca(2.5)Sr(0.5)GaMn(2)O(8) compound is obtained. Our calculations have shown that the specific antiferromagnetic ordering, in accordance with experimental findings, is the most stable one. The total energies calculated for the several possible magnetic states of the title compound in the orthorhombic phase enable us to estimate spin exchange interactions for nearest J(nn)=-1.60 meV and next(-) nearest neighbors J(nnn)=-0.21 meV. Calculated Curie-Weiss temperature in the mean-field approximation is in excellent agreement with the measured magnetic phase transition temperature.",
journal = "Physical Review B: Condensed Matter and Materials Physics",
title = "Electronic properties of bilayered manganite Ca(2.5)Sr(0.5)GaMn(2)O(8) from first-principles calculations",
volume = "77",
number = "21",
doi = "10.1103/PhysRevB.77.212402"
}

Borjan, Z., Popović, Z. S., Šljivančanin, Ž.,& Vukajlović, F. R.. (2008). Electronic properties of bilayered manganite Ca(2.5)Sr(0.5)GaMn(2)O(8) from first-principles calculations. in Physical Review B: Condensed Matter and Materials Physics, 77(21).
https://doi.org/10.1103/PhysRevB.77.212402

Borjan Z, Popović ZS, Šljivančanin Ž, Vukajlović FR. Electronic properties of bilayered manganite Ca(2.5)Sr(0.5)GaMn(2)O(8) from first-principles calculations. in Physical Review B: Condensed Matter and Materials Physics. 2008;77(21).
doi:10.1103/PhysRevB.77.212402 .

Borjan, Zoran, Popović, Zoran S., Šljivančanin, Željko, Vukajlović, Filip R., "Electronic properties of bilayered manganite Ca(2.5)Sr(0.5)GaMn(2)O(8) from first-principles calculations" in Physical Review B: Condensed Matter and Materials Physics, 77, no. 21 (2008),
https://doi.org/10.1103/PhysRevB.77.212402 . .

TY  - JOUR
AU  - Đokić, Dejan M.
AU  - Popović, Zoran V.
AU  - Vukajlović, Filip R.
PY  - 2008
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3357
AB  - The effects of spin-phonon interaction and magnetic anisotropy on the temperature dependence of the infrared optical phonon modes in the antiferromagnetic alpha-MnSe are investigated by use of Greens function formalism within 1/z perturbation framework. The renormalization effects are calculated explicitly as a function of temperature, phonon-phonon, and spin-phonon interaction constants. Temperature dependence of the renormalized LO phonon frequencies of the F(1u) infrared active and combinational phonon modes are calculated and compared with experimental data. We have shown that the inclusion of anisotropy is necessary in order to get a good quantitative agreement with the experiment.
T2  - Physical Review B: Condensed Matter and Materials Physics
T1  - Influence of antiferromagnetic spin ordering on the far-infrared active optical phonon modes of alpha-MnSe
VL  - 77
IS  - 1
DO  - 10.1103/PhysRevB.77.014305
ER  - 

@article{
author = "Đokić, Dejan M. and Popović, Zoran V. and Vukajlović, Filip R.",
year = "2008",
abstract = "The effects of spin-phonon interaction and magnetic anisotropy on the temperature dependence of the infrared optical phonon modes in the antiferromagnetic alpha-MnSe are investigated by use of Greens function formalism within 1/z perturbation framework. The renormalization effects are calculated explicitly as a function of temperature, phonon-phonon, and spin-phonon interaction constants. Temperature dependence of the renormalized LO phonon frequencies of the F(1u) infrared active and combinational phonon modes are calculated and compared with experimental data. We have shown that the inclusion of anisotropy is necessary in order to get a good quantitative agreement with the experiment.",
journal = "Physical Review B: Condensed Matter and Materials Physics",
title = "Influence of antiferromagnetic spin ordering on the far-infrared active optical phonon modes of alpha-MnSe",
volume = "77",
number = "1",
doi = "10.1103/PhysRevB.77.014305"
}

Đokić, D. M., Popović, Z. V.,& Vukajlović, F. R.. (2008). Influence of antiferromagnetic spin ordering on the far-infrared active optical phonon modes of alpha-MnSe. in Physical Review B: Condensed Matter and Materials Physics, 77(1).
https://doi.org/10.1103/PhysRevB.77.014305

Đokić DM, Popović ZV, Vukajlović FR. Influence of antiferromagnetic spin ordering on the far-infrared active optical phonon modes of alpha-MnSe. in Physical Review B: Condensed Matter and Materials Physics. 2008;77(1).
doi:10.1103/PhysRevB.77.014305 .

Đokić, Dejan M., Popović, Zoran V., Vukajlović, Filip R., "Influence of antiferromagnetic spin ordering on the far-infrared active optical phonon modes of alpha-MnSe" in Physical Review B: Condensed Matter and Materials Physics, 77, no. 1 (2008),
https://doi.org/10.1103/PhysRevB.77.014305 . .

TY  - JOUR
AU  - Popović, Zoran S.
AU  - Šljivančanin, Željko
AU  - Vukajlović, Filip R.
PY  - 2006
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3031
T2  - Physical Review Letters
T1  - Comment on Sodium pyroxene NaTiSi2O6: Possible haldane spin-1 chain system - Popovic et al. reply
VL  - 96
IS  - 24
DO  - 10.1103/PhysRevLett.96.249702
ER  - 

@article{
author = "Popović, Zoran S. and Šljivančanin, Željko and Vukajlović, Filip R.",
year = "2006",
journal = "Physical Review Letters",
title = "Comment on Sodium pyroxene NaTiSi2O6: Possible haldane spin-1 chain system - Popovic et al. reply",
volume = "96",
number = "24",
doi = "10.1103/PhysRevLett.96.249702"
}

Popović, Z. S., Šljivančanin, Ž.,& Vukajlović, F. R.. (2006). Comment on Sodium pyroxene NaTiSi2O6: Possible haldane spin-1 chain system - Popovic et al. reply. in Physical Review Letters, 96(24).
https://doi.org/10.1103/PhysRevLett.96.249702

Popović ZS, Šljivančanin Ž, Vukajlović FR. Comment on Sodium pyroxene NaTiSi2O6: Possible haldane spin-1 chain system - Popovic et al. reply. in Physical Review Letters. 2006;96(24).
doi:10.1103/PhysRevLett.96.249702 .

Popović, Zoran S., Šljivančanin, Željko, Vukajlović, Filip R., "Comment on Sodium pyroxene NaTiSi2O6: Possible haldane spin-1 chain system - Popovic et al. reply" in Physical Review Letters, 96, no. 24 (2006),
https://doi.org/10.1103/PhysRevLett.96.249702 . .

TY  - JOUR
AU  - Šljivančanin, Željko
AU  - Popović, Zoran S.
AU  - Vukajlović, Filip R.
AU  - Baldereschi, Alfonso
PY  - 2006
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3114
AB  - Atomic structure and magnetic properties of monatomic cobalt wires self-assembled on a stepped Pt surface are studied using density-functional theory. Nucleation sites and the early stages of wire growth are obtained by calculating the binding energies and diffusion barriers of Co atoms on Pt(332), and the adsorption geometries of Co dimers and trimers on the same surface. We show that experimentally observed monoatomic Co wires formed at the step edges are kinetically favored over another thermodynamically equally stable structure found in our calculations. The spin magnetic moment of monatomic wires supported by Pt(332) is 3.74 mu(B) per Co atom, more than 50% larger than that of free-standing wires. This enhancement is explained in terms of the spin-dependent hybridization between Pt-5d and Co-3d states.
T2  - Physical Review B: Condensed Matter and Materials Physics
T1  - Atomic structure and spin magnetism of self-assembled Co nanowires on Pt(332)
VL  - 74
IS  - 13
DO  - 10.1103/PhysRevB.74.134412
ER  - 

@article{
author = "Šljivančanin, Željko and Popović, Zoran S. and Vukajlović, Filip R. and Baldereschi, Alfonso",
year = "2006",
abstract = "Atomic structure and magnetic properties of monatomic cobalt wires self-assembled on a stepped Pt surface are studied using density-functional theory. Nucleation sites and the early stages of wire growth are obtained by calculating the binding energies and diffusion barriers of Co atoms on Pt(332), and the adsorption geometries of Co dimers and trimers on the same surface. We show that experimentally observed monoatomic Co wires formed at the step edges are kinetically favored over another thermodynamically equally stable structure found in our calculations. The spin magnetic moment of monatomic wires supported by Pt(332) is 3.74 mu(B) per Co atom, more than 50% larger than that of free-standing wires. This enhancement is explained in terms of the spin-dependent hybridization between Pt-5d and Co-3d states.",
journal = "Physical Review B: Condensed Matter and Materials Physics",
title = "Atomic structure and spin magnetism of self-assembled Co nanowires on Pt(332)",
volume = "74",
number = "13",
doi = "10.1103/PhysRevB.74.134412"
}

Šljivančanin, Ž., Popović, Z. S., Vukajlović, F. R.,& Baldereschi, A.. (2006). Atomic structure and spin magnetism of self-assembled Co nanowires on Pt(332). in Physical Review B: Condensed Matter and Materials Physics, 74(13).
https://doi.org/10.1103/PhysRevB.74.134412

Šljivančanin Ž, Popović ZS, Vukajlović FR, Baldereschi A. Atomic structure and spin magnetism of self-assembled Co nanowires on Pt(332). in Physical Review B: Condensed Matter and Materials Physics. 2006;74(13).
doi:10.1103/PhysRevB.74.134412 .

Šljivančanin, Željko, Popović, Zoran S., Vukajlović, Filip R., Baldereschi, Alfonso, "Atomic structure and spin magnetism of self-assembled Co nanowires on Pt(332)" in Physical Review B: Condensed Matter and Materials Physics, 74, no. 13 (2006),
https://doi.org/10.1103/PhysRevB.74.134412 . .

TY  - JOUR
AU  - Kovacevic, ZL
AU  - Vukajlović, Filip R.
PY  - 2005
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2957
AB  - An effective Hubbard model for one-particle d-like states and two-particle singlet states is derived in order to describe the low-energy electronic spectrum in ladder alpha-NaV2O5 compound. The energy shifts and the renormalized hopping parameters for the considered electronic states are calculated on the basis of the projection technique for the two-time matrix Greens function in terms of Hubbard operators.
T2  - International Journal of Modern Physics B
T1  - Electronic structure for the two-band Hubbard model of the ladder alpha -NaV2O5 compound
VL  - 19
IS  - 30
SP  - 4399
EP  - 4417
DO  - 10.1142/S0217979205032838
ER  - 

@article{
author = "Kovacevic, ZL and Vukajlović, Filip R.",
year = "2005",
abstract = "An effective Hubbard model for one-particle d-like states and two-particle singlet states is derived in order to describe the low-energy electronic spectrum in ladder alpha-NaV2O5 compound. The energy shifts and the renormalized hopping parameters for the considered electronic states are calculated on the basis of the projection technique for the two-time matrix Greens function in terms of Hubbard operators.",
journal = "International Journal of Modern Physics B",
title = "Electronic structure for the two-band Hubbard model of the ladder alpha -NaV2O5 compound",
volume = "19",
number = "30",
pages = "4399-4417",
doi = "10.1142/S0217979205032838"
}

Kovacevic, Z.,& Vukajlović, F. R.. (2005). Electronic structure for the two-band Hubbard model of the ladder alpha -NaV2O5 compound. in International Journal of Modern Physics B, 19(30), 4399-4417.
https://doi.org/10.1142/S0217979205032838

Kovacevic Z, Vukajlović FR. Electronic structure for the two-band Hubbard model of the ladder alpha -NaV2O5 compound. in International Journal of Modern Physics B. 2005;19(30):4399-4417.
doi:10.1142/S0217979205032838 .

Kovacevic, ZL, Vukajlović, Filip R., "Electronic structure for the two-band Hubbard model of the ladder alpha -NaV2O5 compound" in International Journal of Modern Physics B, 19, no. 30 (2005):4399-4417,
https://doi.org/10.1142/S0217979205032838 . .

TY  - JOUR
AU  - Popović, Zoran S.
AU  - Šljivančanin, Željko
AU  - Vukajlović, Filip R.
PY  - 2004
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2785
AB  - Using a density functional approach, we study the structural and magnetic properties of the pyroxene compound NaTiSi2O6. While all previous workers are taking that NaTiSi2O6 is a quasi-one-dimensional S=1/2 system, our theoretical results indicate that this is a Haldane S=1 chain compound below the phase transition at 210 K. A good agreement is obtained between the calculated and the measured Ti-Ti distances in the dimerized low temperature phase. We present a simple explanation of the flow of the unusual phase transition which is taking place in this compound.
T2  - Physical Review Letters
T1  - Sodium pyroxene NaTiSi2O6: Possible haldane spin-1 chain system
VL  - 93
IS  - 3
DO  - 10.1103/PhysRevLett.93.036401
ER  - 

@article{
author = "Popović, Zoran S. and Šljivančanin, Željko and Vukajlović, Filip R.",
year = "2004",
abstract = "Using a density functional approach, we study the structural and magnetic properties of the pyroxene compound NaTiSi2O6. While all previous workers are taking that NaTiSi2O6 is a quasi-one-dimensional S=1/2 system, our theoretical results indicate that this is a Haldane S=1 chain compound below the phase transition at 210 K. A good agreement is obtained between the calculated and the measured Ti-Ti distances in the dimerized low temperature phase. We present a simple explanation of the flow of the unusual phase transition which is taking place in this compound.",
journal = "Physical Review Letters",
title = "Sodium pyroxene NaTiSi2O6: Possible haldane spin-1 chain system",
volume = "93",
number = "3",
doi = "10.1103/PhysRevLett.93.036401"
}

Popović, Z. S., Šljivančanin, Ž.,& Vukajlović, F. R.. (2004). Sodium pyroxene NaTiSi2O6: Possible haldane spin-1 chain system. in Physical Review Letters, 93(3).
https://doi.org/10.1103/PhysRevLett.93.036401

Popović ZS, Šljivančanin Ž, Vukajlović FR. Sodium pyroxene NaTiSi2O6: Possible haldane spin-1 chain system. in Physical Review Letters. 2004;93(3).
doi:10.1103/PhysRevLett.93.036401 .

Popović, Zoran S., Šljivančanin, Željko, Vukajlović, Filip R., "Sodium pyroxene NaTiSi2O6: Possible haldane spin-1 chain system" in Physical Review Letters, 93, no. 3 (2004),
https://doi.org/10.1103/PhysRevLett.93.036401 . .

TY  - CONF
AU  - Popović, Zoran
AU  - Šljivančanin, Željko
AU  - Vukajlović, Filip R.
PY  - 2004
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12907
AB  - Using a density functional approach, we studied structural, and magnetic properties of pyroxene compound NaTiSi2O6. While all previous workers are taking that NaTiSi2O6 is quasi one-dimensional S=1/2 system, our theoretical results indicate that this is Haldane S=1 chain compound below the phase transition at 210 K. A good agreement is obtained between the calculated and the measured Ti-Ti distances in the dimerized low temperature phase. We are presenting relatively simple explanation of the flow of the unusual phase transition which is taking place in this compound.
C3  - SFKM 2004 : XVI National Symposium on Condensed Matter Physics : Program and Contributed Papers
T1  - Sodium Pyroxene NaTiSi2O6: Possible Haldane S=1 Chain System
SP  - 230
EP  - 236
UR  - https://hdl.handle.net/21.15107/rcub_vinar_12907
ER  - 

@conference{
author = "Popović, Zoran and Šljivančanin, Željko and Vukajlović, Filip R.",
year = "2004",
abstract = "Using a density functional approach, we studied structural, and magnetic properties of pyroxene compound NaTiSi2O6. While all previous workers are taking that NaTiSi2O6 is quasi one-dimensional S=1/2 system, our theoretical results indicate that this is Haldane S=1 chain compound below the phase transition at 210 K. A good agreement is obtained between the calculated and the measured Ti-Ti distances in the dimerized low temperature phase. We are presenting relatively simple explanation of the flow of the unusual phase transition which is taking place in this compound.",
journal = "SFKM 2004 : XVI National Symposium on Condensed Matter Physics : Program and Contributed Papers",
title = "Sodium Pyroxene NaTiSi2O6: Possible Haldane S=1 Chain System",
pages = "230-236",
url = "https://hdl.handle.net/21.15107/rcub_vinar_12907"
}

Popović, Z., Šljivančanin, Ž.,& Vukajlović, F. R.. (2004). Sodium Pyroxene NaTiSi2O6: Possible Haldane S=1 Chain System. in SFKM 2004 : XVI National Symposium on Condensed Matter Physics : Program and Contributed Papers, 230-236.
https://hdl.handle.net/21.15107/rcub_vinar_12907

Popović Z, Šljivančanin Ž, Vukajlović FR. Sodium Pyroxene NaTiSi2O6: Possible Haldane S=1 Chain System. in SFKM 2004 : XVI National Symposium on Condensed Matter Physics : Program and Contributed Papers. 2004;:230-236.
https://hdl.handle.net/21.15107/rcub_vinar_12907 .

Popović, Zoran, Šljivančanin, Željko, Vukajlović, Filip R., "Sodium Pyroxene NaTiSi2O6: Possible Haldane S=1 Chain System" in SFKM 2004 : XVI National Symposium on Condensed Matter Physics : Program and Contributed Papers (2004):230-236,
https://hdl.handle.net/21.15107/rcub_vinar_12907 .

TY  - JOUR
AU  - Šljivančanin, Željko
AU  - Vukajlović, Filip R.
PY  - 2002
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2553
AB  - Ab initio theoretical calculations of magnetic moments near the interfaces of 3d ferromagnetic transition metals were performed using the self-consistent interface Greens function technique based on linear-muffin-tin orbitals (LMTO) method within the tight-binding (TB) and atomic sphere approximation together with local-spin-density approximation. We have also made supercell spin-polarized (SP) band structure calculations of (1 0 0) Fe/Co interface in the framework of TB-LMTO method, in order to take into account structural deformations and estimate their influence on the magnetic moments near that interface. Our results for layer magnetic moments near Fe/Co, Fe/Ni and Ni/Co interfaces did not show any oscillating behavior, contrary to the recent findings for the magnetic moment profile near Fe/Co interface deduced from the perturbed angular correlation measurements of hyperfine fields. The reasons for this disagreement have been discussed and a comparison with earlier experimental and theoretical results was made.
T2  - International Journal of Modern Physics B
T1  - Magnetic moments near the sharp interfaces of ferromagnetic materials
VL  - 16
IS  - 24
SP  - 3655
EP  - 3669
DO  - 10.1142/S0217979202012098
ER  - 

@article{
author = "Šljivančanin, Željko and Vukajlović, Filip R.",
year = "2002",
abstract = "Ab initio theoretical calculations of magnetic moments near the interfaces of 3d ferromagnetic transition metals were performed using the self-consistent interface Greens function technique based on linear-muffin-tin orbitals (LMTO) method within the tight-binding (TB) and atomic sphere approximation together with local-spin-density approximation. We have also made supercell spin-polarized (SP) band structure calculations of (1 0 0) Fe/Co interface in the framework of TB-LMTO method, in order to take into account structural deformations and estimate their influence on the magnetic moments near that interface. Our results for layer magnetic moments near Fe/Co, Fe/Ni and Ni/Co interfaces did not show any oscillating behavior, contrary to the recent findings for the magnetic moment profile near Fe/Co interface deduced from the perturbed angular correlation measurements of hyperfine fields. The reasons for this disagreement have been discussed and a comparison with earlier experimental and theoretical results was made.",
journal = "International Journal of Modern Physics B",
title = "Magnetic moments near the sharp interfaces of ferromagnetic materials",
volume = "16",
number = "24",
pages = "3655-3669",
doi = "10.1142/S0217979202012098"
}

Šljivančanin, Ž.,& Vukajlović, F. R.. (2002). Magnetic moments near the sharp interfaces of ferromagnetic materials. in International Journal of Modern Physics B, 16(24), 3655-3669.
https://doi.org/10.1142/S0217979202012098

Šljivančanin Ž, Vukajlović FR. Magnetic moments near the sharp interfaces of ferromagnetic materials. in International Journal of Modern Physics B. 2002;16(24):3655-3669.
doi:10.1142/S0217979202012098 .

Šljivančanin, Željko, Vukajlović, Filip R., "Magnetic moments near the sharp interfaces of ferromagnetic materials" in International Journal of Modern Physics B, 16, no. 24 (2002):3655-3669,
https://doi.org/10.1142/S0217979202012098 . .

TY  - JOUR
AU  - Popović, Zoran S.
AU  - Vukajlović, Filip R.
PY  - 2002
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2584
AB  - The paramagnetic, spin-polarized, and LDA+U rotationally invariant, fully self-consistent linear-muffin-tin orbital band structure for the inorganic spin-gapped vanadate alpha-NaV2O5 has been calculated for both centrosymmetric group Pmmn and noncentrosymmetric group P2(1)mn (earlier assignment which is now denied as a room temperature structure) and twosupposed antiferromagnetic orders. A very small band gap solution and magnetic moments on vanadium atoms are obtained in the framework of local-spin-density functional approximation. The LDA+U approach has produced the insulating antiferromagnetic solution with more appropriate energy gaps and magnetic moments. We found that the minimal crystal structure changes produce significant changes in the electronic structure and magnetic properties. Starting from an extended four-band tight-binding model, fitted to the paramagnetic Pmmn bands, the hopping terms relevant for the calculation of exchange parameters of a spatially anisotropic Heisenberg model are estimated. A new frustrating second neighbour coupling, as well as a pronounced diagonal intraladder hopping term, are found.
T2  - Journal of the Physical Society of Japan
T1  - A comparative study of Coulomb-correlated electronic structure of the spin-gapped compound alpha -NaV2O5 in Pmmn and P2(1)mn crystal structure
VL  - 71
IS  - 11
SP  - 2720
EP  - 2729
DO  - 10.1143/JPSJ.71.2720
ER  - 

@article{
author = "Popović, Zoran S. and Vukajlović, Filip R.",
year = "2002",
abstract = "The paramagnetic, spin-polarized, and LDA+U rotationally invariant, fully self-consistent linear-muffin-tin orbital band structure for the inorganic spin-gapped vanadate alpha-NaV2O5 has been calculated for both centrosymmetric group Pmmn and noncentrosymmetric group P2(1)mn (earlier assignment which is now denied as a room temperature structure) and twosupposed antiferromagnetic orders. A very small band gap solution and magnetic moments on vanadium atoms are obtained in the framework of local-spin-density functional approximation. The LDA+U approach has produced the insulating antiferromagnetic solution with more appropriate energy gaps and magnetic moments. We found that the minimal crystal structure changes produce significant changes in the electronic structure and magnetic properties. Starting from an extended four-band tight-binding model, fitted to the paramagnetic Pmmn bands, the hopping terms relevant for the calculation of exchange parameters of a spatially anisotropic Heisenberg model are estimated. A new frustrating second neighbour coupling, as well as a pronounced diagonal intraladder hopping term, are found.",
journal = "Journal of the Physical Society of Japan",
title = "A comparative study of Coulomb-correlated electronic structure of the spin-gapped compound alpha -NaV2O5 in Pmmn and P2(1)mn crystal structure",
volume = "71",
number = "11",
pages = "2720-2729",
doi = "10.1143/JPSJ.71.2720"
}

Popović, Z. S.,& Vukajlović, F. R.. (2002). A comparative study of Coulomb-correlated electronic structure of the spin-gapped compound alpha -NaV2O5 in Pmmn and P2(1)mn crystal structure. in Journal of the Physical Society of Japan, 71(11), 2720-2729.
https://doi.org/10.1143/JPSJ.71.2720

Popović ZS, Vukajlović FR. A comparative study of Coulomb-correlated electronic structure of the spin-gapped compound alpha -NaV2O5 in Pmmn and P2(1)mn crystal structure. in Journal of the Physical Society of Japan. 2002;71(11):2720-2729.
doi:10.1143/JPSJ.71.2720 .

Popović, Zoran S., Vukajlović, Filip R., "A comparative study of Coulomb-correlated electronic structure of the spin-gapped compound alpha -NaV2O5 in Pmmn and P2(1)mn crystal structure" in Journal of the Physical Society of Japan, 71, no. 11 (2002):2720-2729,
https://doi.org/10.1143/JPSJ.71.2720 . .

TY  - JOUR
AU  - Popović, Zoran S.
AU  - Vukajlović, Filip R.
PY  - 1999
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2229
AB  - The paramagnetic, spin-polarized, and local-density approximation LDA + U rotationally invariant, fully self-consistent linear muffin-tin orbital band structure for the second inorganic spin-Peierls vanadate alpha-NaV2O5 has been calculated. A very small band-gap solution and magnetic moments on both vanadium-type atoms are obtained in the framework of local-spin-density functional approximation. The new rotationally invariant LDA + U approach has produced the insulating antiferromagnetic solution with an energy gap of 2.7 eV and a magnetic moment of 0.97 mu(beta) only on one type of vanadium atoms. These results are in agreement with experiments to a quite satisfactory degree.
T2  - Physical Review B: Condensed Matter and Materials Physics
T1  - Coulomb-correlated band structure of one-dimensional spin-Peierls alpha -NaV2O5
VL  - 59
IS  - 8
SP  - 5333
EP  - 5340
DO  - 10.1103/PhysRevB.59.5333
ER  - 

@article{
author = "Popović, Zoran S. and Vukajlović, Filip R.",
year = "1999",
abstract = "The paramagnetic, spin-polarized, and local-density approximation LDA + U rotationally invariant, fully self-consistent linear muffin-tin orbital band structure for the second inorganic spin-Peierls vanadate alpha-NaV2O5 has been calculated. A very small band-gap solution and magnetic moments on both vanadium-type atoms are obtained in the framework of local-spin-density functional approximation. The new rotationally invariant LDA + U approach has produced the insulating antiferromagnetic solution with an energy gap of 2.7 eV and a magnetic moment of 0.97 mu(beta) only on one type of vanadium atoms. These results are in agreement with experiments to a quite satisfactory degree.",
journal = "Physical Review B: Condensed Matter and Materials Physics",
title = "Coulomb-correlated band structure of one-dimensional spin-Peierls alpha -NaV2O5",
volume = "59",
number = "8",
pages = "5333-5340",
doi = "10.1103/PhysRevB.59.5333"
}

Popović, Z. S.,& Vukajlović, F. R.. (1999). Coulomb-correlated band structure of one-dimensional spin-Peierls alpha -NaV2O5. in Physical Review B: Condensed Matter and Materials Physics, 59(8), 5333-5340.
https://doi.org/10.1103/PhysRevB.59.5333

Popović ZS, Vukajlović FR. Coulomb-correlated band structure of one-dimensional spin-Peierls alpha -NaV2O5. in Physical Review B: Condensed Matter and Materials Physics. 1999;59(8):5333-5340.
doi:10.1103/PhysRevB.59.5333 .

Popović, Zoran S., Vukajlović, Filip R., "Coulomb-correlated band structure of one-dimensional spin-Peierls alpha -NaV2O5" in Physical Review B: Condensed Matter and Materials Physics, 59, no. 8 (1999):5333-5340,
https://doi.org/10.1103/PhysRevB.59.5333 . .

TY  - JOUR
AU  - Lalić, Milan V.
AU  - Popović, Zoran S.
AU  - Vukajlović, Filip R.
PY  - 1999
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2239
AB  - Using the first-principles full-potential linear muffin-tin orbital method in the atomic sphere approximation, we have calculated the electronic structure of the intermetallic compound Hf2Fe, and evaluated the electric field gradients (EFGs) at all of the three inequivalent positions (two Hf and one Fe) in its lattice. The-main results extracted from the experimental investigations, concerning the different magnitudes and origins of the EFGs at inequivalent Hf sites, are correctly reproduced. The possible mechanisms of formation of the EFGs at these sites are analysed and discussed.
T2  - Journal of Physics: Condensed Matter
T1  - Electronic structure and electric field gradient calculations for Hf2Fe intermetallic compounds
VL  - 11
IS  - 12
SP  - 2513
EP  - 2522
DO  - 10.1088/0953-8984/11/12/006
ER  - 

@article{
author = "Lalić, Milan V. and Popović, Zoran S. and Vukajlović, Filip R.",
year = "1999",
abstract = "Using the first-principles full-potential linear muffin-tin orbital method in the atomic sphere approximation, we have calculated the electronic structure of the intermetallic compound Hf2Fe, and evaluated the electric field gradients (EFGs) at all of the three inequivalent positions (two Hf and one Fe) in its lattice. The-main results extracted from the experimental investigations, concerning the different magnitudes and origins of the EFGs at inequivalent Hf sites, are correctly reproduced. The possible mechanisms of formation of the EFGs at these sites are analysed and discussed.",
journal = "Journal of Physics: Condensed Matter",
title = "Electronic structure and electric field gradient calculations for Hf2Fe intermetallic compounds",
volume = "11",
number = "12",
pages = "2513-2522",
doi = "10.1088/0953-8984/11/12/006"
}

Lalić, M. V., Popović, Z. S.,& Vukajlović, F. R.. (1999). Electronic structure and electric field gradient calculations for Hf2Fe intermetallic compounds. in Journal of Physics: Condensed Matter, 11(12), 2513-2522.
https://doi.org/10.1088/0953-8984/11/12/006

Lalić MV, Popović ZS, Vukajlović FR. Electronic structure and electric field gradient calculations for Hf2Fe intermetallic compounds. in Journal of Physics: Condensed Matter. 1999;11(12):2513-2522.
doi:10.1088/0953-8984/11/12/006 .

Lalić, Milan V., Popović, Zoran S., Vukajlović, Filip R., "Electronic structure and electric field gradient calculations for Hf2Fe intermetallic compounds" in Journal of Physics: Condensed Matter, 11, no. 12 (1999):2513-2522,
https://doi.org/10.1088/0953-8984/11/12/006 . .

TY  - JOUR
AU  - Šljivančanin, Željko
AU  - Vukajlović, Filip R.
PY  - 1998
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2111
T2  - Physical Review Letters
T1  - Comment on Oscillation of the Fe and Co magnetic moments near the sharp (1 -1 0) Fe/Co interface
VL  - 80
IS  - 7
SP  - 1568
DO  - 10.1103/PhysRevLett.80.1568
ER  - 

@article{
author = "Šljivančanin, Željko and Vukajlović, Filip R.",
year = "1998",
journal = "Physical Review Letters",
title = "Comment on Oscillation of the Fe and Co magnetic moments near the sharp (1 -1 0) Fe/Co interface",
volume = "80",
number = "7",
pages = "1568",
doi = "10.1103/PhysRevLett.80.1568"
}

Šljivančanin, Ž.,& Vukajlović, F. R.. (1998). Comment on Oscillation of the Fe and Co magnetic moments near the sharp (1 -1 0) Fe/Co interface. in Physical Review Letters, 80(7), 1568.
https://doi.org/10.1103/PhysRevLett.80.1568

Šljivančanin Ž, Vukajlović FR. Comment on Oscillation of the Fe and Co magnetic moments near the sharp (1 -1 0) Fe/Co interface. in Physical Review Letters. 1998;80(7):1568.
doi:10.1103/PhysRevLett.80.1568 .

Šljivančanin, Željko, Vukajlović, Filip R., "Comment on Oscillation of the Fe and Co magnetic moments near the sharp (1 -1 0) Fe/Co interface" in Physical Review Letters, 80, no. 7 (1998):1568,
https://doi.org/10.1103/PhysRevLett.80.1568 . .

TY  - JOUR
AU  - Šljivančanin, Željko
AU  - Popović, Zoran S.
AU  - Vukajlović, Filip R.
PY  - 1998
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2172
AB  - The generalization of the local(-spin)-density-approximation (L(S)DA) method for the systems with strong Coulomb correlations has been applied for the calcualtion of the electronic structure for the cuprate CuGeO3. The stable insulating antiferromagnetic solution with an energy gap of similar to 3.02 eV and a magnetic moment of 0.89 mu(B) is obtained for the first time. According to our results the strong copper on-site Coulomb interaction of U=9.66 eV is the most important quantity for the gap opening in this first inorganic spin-Peierls compound.
T2  - Solid State Phenomena
T1  - Coulomb correlations and electronic structure of the spin-peierls cuprate CuGeO3
VL  - 61-2
SP  - 139
EP  - 142
DO  - 10.4028/www.scientific.net/SSP.61-62.139
UR  - https://hdl.handle.net/21.15107/rcub_vinar_2172
ER  - 

@article{
author = "Šljivančanin, Željko and Popović, Zoran S. and Vukajlović, Filip R.",
year = "1998",
abstract = "The generalization of the local(-spin)-density-approximation (L(S)DA) method for the systems with strong Coulomb correlations has been applied for the calcualtion of the electronic structure for the cuprate CuGeO3. The stable insulating antiferromagnetic solution with an energy gap of similar to 3.02 eV and a magnetic moment of 0.89 mu(B) is obtained for the first time. According to our results the strong copper on-site Coulomb interaction of U=9.66 eV is the most important quantity for the gap opening in this first inorganic spin-Peierls compound.",
journal = "Solid State Phenomena",
title = "Coulomb correlations and electronic structure of the spin-peierls cuprate CuGeO3",
volume = "61-2",
pages = "139-142",
doi = "10.4028/www.scientific.net/SSP.61-62.139",
url = "https://hdl.handle.net/21.15107/rcub_vinar_2172"
}

Šljivančanin, Ž., Popović, Z. S.,& Vukajlović, F. R.. (1998). Coulomb correlations and electronic structure of the spin-peierls cuprate CuGeO3. in Solid State Phenomena, 61-2, 139-142.
https://doi.org/10.4028/www.scientific.net/SSP.61-62.139
https://hdl.handle.net/21.15107/rcub_vinar_2172

Šljivančanin Ž, Popović ZS, Vukajlović FR. Coulomb correlations and electronic structure of the spin-peierls cuprate CuGeO3. in Solid State Phenomena. 1998;61-2:139-142.
doi:10.4028/www.scientific.net/SSP.61-62.139
https://hdl.handle.net/21.15107/rcub_vinar_2172 .

Šljivančanin, Željko, Popović, Zoran S., Vukajlović, Filip R., "Coulomb correlations and electronic structure of the spin-peierls cuprate CuGeO3" in Solid State Phenomena, 61-2 (1998):139-142,
https://doi.org/10.4028/www.scientific.net/SSP.61-62.139 .,
https://hdl.handle.net/21.15107/rcub_vinar_2172 .

TY  - JOUR
AU  - Šljivančanin, Željko
AU  - Vukajlović, Filip R.
PY  - 1998
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2175
AB  - Thin films and interfaces are particularly interesting because they offer the possibility of studyng a wide range of magnetic phenomena. Thus it is possible that normally nonmagnetic materials such as Pd or Rh may become magnetic if their dimensionality is reduced. At the Fe/M (M=Mo,Tc,V) interfaces, considered in our paper, Fe induces a spin polarization in previously nonmagnetic transition-metals. These phenomena could be explained on the bases of hybridization between Fe 3d states and 3d or 4d states of transition-metals [1].
T2  - Solid State Phenomena
T1  - Oscillation of the magnetic moment at metallic interfaces
VL  - 61-2
SP  - 151
EP  - 154
DO  - 10.4028/www.scientific.net/ssp.61-62.151
UR  - https://hdl.handle.net/21.15107/rcub_vinar_2175
ER  - 

@article{
author = "Šljivančanin, Željko and Vukajlović, Filip R.",
year = "1998",
abstract = "Thin films and interfaces are particularly interesting because they offer the possibility of studyng a wide range of magnetic phenomena. Thus it is possible that normally nonmagnetic materials such as Pd or Rh may become magnetic if their dimensionality is reduced. At the Fe/M (M=Mo,Tc,V) interfaces, considered in our paper, Fe induces a spin polarization in previously nonmagnetic transition-metals. These phenomena could be explained on the bases of hybridization between Fe 3d states and 3d or 4d states of transition-metals [1].",
journal = "Solid State Phenomena",
title = "Oscillation of the magnetic moment at metallic interfaces",
volume = "61-2",
pages = "151-154",
doi = "10.4028/www.scientific.net/ssp.61-62.151",
url = "https://hdl.handle.net/21.15107/rcub_vinar_2175"
}

Šljivančanin, Ž.,& Vukajlović, F. R.. (1998). Oscillation of the magnetic moment at metallic interfaces. in Solid State Phenomena, 61-2, 151-154.
https://doi.org/10.4028/www.scientific.net/ssp.61-62.151
https://hdl.handle.net/21.15107/rcub_vinar_2175

Šljivančanin Ž, Vukajlović FR. Oscillation of the magnetic moment at metallic interfaces. in Solid State Phenomena. 1998;61-2:151-154.
doi:10.4028/www.scientific.net/ssp.61-62.151
https://hdl.handle.net/21.15107/rcub_vinar_2175 .

Šljivančanin, Željko, Vukajlović, Filip R., "Oscillation of the magnetic moment at metallic interfaces" in Solid State Phenomena, 61-2 (1998):151-154,
https://doi.org/10.4028/www.scientific.net/ssp.61-62.151 .,
https://hdl.handle.net/21.15107/rcub_vinar_2175 .

TY  - JOUR
AU  - Šljivančanin, Željko
AU  - Vukajlović, Filip R.
PY  - 1998
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2200
AB  - We calculate the magnetization profile in the (111) surface of face-centred cubic (fcc) Ni covered by a monolayer or a bilayer of 3d and 4d transition metals. The observed trends can be explained as in earlier works in terms of the hybridization between d states of the overlayer element and Ni substrate, although some interesting specific behaviour of the magnetization in the surface of fee (111) Ni covered with different d metals has been observed.
T2  - Journal of Physics: Condensed Matter
T1  - Magnetic moments of transition metals overlayers on fcc Ni surface
VL  - 10
IS  - 39
SP  - 8679
EP  - 8686
DO  - 10.1088/0953-8984/10/39/007
ER  - 

@article{
author = "Šljivančanin, Željko and Vukajlović, Filip R.",
year = "1998",
abstract = "We calculate the magnetization profile in the (111) surface of face-centred cubic (fcc) Ni covered by a monolayer or a bilayer of 3d and 4d transition metals. The observed trends can be explained as in earlier works in terms of the hybridization between d states of the overlayer element and Ni substrate, although some interesting specific behaviour of the magnetization in the surface of fee (111) Ni covered with different d metals has been observed.",
journal = "Journal of Physics: Condensed Matter",
title = "Magnetic moments of transition metals overlayers on fcc Ni surface",
volume = "10",
number = "39",
pages = "8679-8686",
doi = "10.1088/0953-8984/10/39/007"
}

Šljivančanin, Ž.,& Vukajlović, F. R.. (1998). Magnetic moments of transition metals overlayers on fcc Ni surface. in Journal of Physics: Condensed Matter, 10(39), 8679-8686.
https://doi.org/10.1088/0953-8984/10/39/007

Šljivančanin Ž, Vukajlović FR. Magnetic moments of transition metals overlayers on fcc Ni surface. in Journal of Physics: Condensed Matter. 1998;10(39):8679-8686.
doi:10.1088/0953-8984/10/39/007 .

Šljivančanin, Željko, Vukajlović, Filip R., "Magnetic moments of transition metals overlayers on fcc Ni surface" in Journal of Physics: Condensed Matter, 10, no. 39 (1998):8679-8686,
https://doi.org/10.1088/0953-8984/10/39/007 . .

TY  - JOUR
AU  - Popović, Zoran S.
AU  - Vukajlović, Filip R.
PY  - 1998
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/47
AB  - The spin-restricted, spin-polarized, and LDA-I-U fully self-consistent linear muffin-tin orbital band structure for the one-leg ladder compound SrCuO2 has been studied. An extremely small band gap solution with negligible magnetic moment on Cu sites is obtained in the framework of the LSDA method. On the other hand, the LDA+U method has produced the insulating antiferromagnetic solution with an energy gap of 1.63 eV and a magnetic moment of 0.89 mu(B). The standard LDA and LSDA SrCuO2 bands around the Fermi level are so similar to the recently discovered spin-Peierls inorganic compound CuGeO3 that one could perhaps expect the appearance of the same type of phase transition in orthorhombic strontium copper oxide SrCuO2. (C) 1998 Elsevier Science Ltd. All rights reserved.
T2  - Solid State Communications
T1  - Coulomb correlated band structure of one-dimensional SrCuO2
VL  - 106
IS  - 7
SP  - 415
EP  - 420
DO  - 10.1016/S0038-1098(98)00089-1
ER  - 

@article{
author = "Popović, Zoran S. and Vukajlović, Filip R.",
year = "1998",
abstract = "The spin-restricted, spin-polarized, and LDA-I-U fully self-consistent linear muffin-tin orbital band structure for the one-leg ladder compound SrCuO2 has been studied. An extremely small band gap solution with negligible magnetic moment on Cu sites is obtained in the framework of the LSDA method. On the other hand, the LDA+U method has produced the insulating antiferromagnetic solution with an energy gap of 1.63 eV and a magnetic moment of 0.89 mu(B). The standard LDA and LSDA SrCuO2 bands around the Fermi level are so similar to the recently discovered spin-Peierls inorganic compound CuGeO3 that one could perhaps expect the appearance of the same type of phase transition in orthorhombic strontium copper oxide SrCuO2. (C) 1998 Elsevier Science Ltd. All rights reserved.",
journal = "Solid State Communications",
title = "Coulomb correlated band structure of one-dimensional SrCuO2",
volume = "106",
number = "7",
pages = "415-420",
doi = "10.1016/S0038-1098(98)00089-1"
}

Popović, Z. S.,& Vukajlović, F. R.. (1998). Coulomb correlated band structure of one-dimensional SrCuO2. in Solid State Communications, 106(7), 415-420.
https://doi.org/10.1016/S0038-1098(98)00089-1

Popović ZS, Vukajlović FR. Coulomb correlated band structure of one-dimensional SrCuO2. in Solid State Communications. 1998;106(7):415-420.
doi:10.1016/S0038-1098(98)00089-1 .

Popović, Zoran S., Vukajlović, Filip R., "Coulomb correlated band structure of one-dimensional SrCuO2" in Solid State Communications, 106, no. 7 (1998):415-420,
https://doi.org/10.1016/S0038-1098(98)00089-1 . .