TY  - JOUR
AU  - Errico, L. A.
AU  - Petrilli, H. M.
AU  - Terrazos, L. A.
AU  - Kulinska, A.
AU  - Wodniecki, P.
AU  - Lieb, K. P.
AU  - Uhrmacher, M.
AU  - Belošević-Čavor, Jelena
AU  - Koteski, Vasil J.
PY  - 2010
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3994
AB  - The quadrupolar hyperfine interactions of in-diffused In-111 - GT Cd-111 probes in polycrystalline isostructural Zr4Al3 and Hf4Al3 samples containing small admixtures of the phases (Zr/Hf)(3)Al-2 were investigated. A strong preference of In-111 solutes for the contaminant (Zr/Hf)(3)Al-2 minority phases was observed. Detailed calculations of the electric field gradient (EFG) at the Cd nucleus using the full-potential augmented plane wave + local orbital formalism allowed us to assign the observed EFG fractions to the various lattice sites in the (Zr/Hf)(3)Al-2 compounds and to understand the preferential site occupation of the minority phases by the In-111 atoms. The effects of the size of the supercell and relaxation around the oversized In and Cd probe atoms were investigated in detail.
T2  - Journal of Physics: Condensed Matter
T1  - Electric field gradients in In-111-doped (Hf/Zr)(3)Al-2 and (Hf/Zr)(4)Al-3 mixed compounds: ab initio calculations, perturbed angular correlation measurements and site preference
VL  - 22
IS  - 21
DO  - 10.1088/0953-8984/22/21/215501
ER  - 

@article{
author = "Errico, L. A. and Petrilli, H. M. and Terrazos, L. A. and Kulinska, A. and Wodniecki, P. and Lieb, K. P. and Uhrmacher, M. and Belošević-Čavor, Jelena and Koteski, Vasil J.",
year = "2010",
abstract = "The quadrupolar hyperfine interactions of in-diffused In-111 - GT Cd-111 probes in polycrystalline isostructural Zr4Al3 and Hf4Al3 samples containing small admixtures of the phases (Zr/Hf)(3)Al-2 were investigated. A strong preference of In-111 solutes for the contaminant (Zr/Hf)(3)Al-2 minority phases was observed. Detailed calculations of the electric field gradient (EFG) at the Cd nucleus using the full-potential augmented plane wave + local orbital formalism allowed us to assign the observed EFG fractions to the various lattice sites in the (Zr/Hf)(3)Al-2 compounds and to understand the preferential site occupation of the minority phases by the In-111 atoms. The effects of the size of the supercell and relaxation around the oversized In and Cd probe atoms were investigated in detail.",
journal = "Journal of Physics: Condensed Matter",
title = "Electric field gradients in In-111-doped (Hf/Zr)(3)Al-2 and (Hf/Zr)(4)Al-3 mixed compounds: ab initio calculations, perturbed angular correlation measurements and site preference",
volume = "22",
number = "21",
doi = "10.1088/0953-8984/22/21/215501"
}

Errico, L. A., Petrilli, H. M., Terrazos, L. A., Kulinska, A., Wodniecki, P., Lieb, K. P., Uhrmacher, M., Belošević-Čavor, J.,& Koteski, V. J.. (2010). Electric field gradients in In-111-doped (Hf/Zr)(3)Al-2 and (Hf/Zr)(4)Al-3 mixed compounds: ab initio calculations, perturbed angular correlation measurements and site preference. in Journal of Physics: Condensed Matter, 22(21).
https://doi.org/10.1088/0953-8984/22/21/215501

Errico LA, Petrilli HM, Terrazos LA, Kulinska A, Wodniecki P, Lieb KP, Uhrmacher M, Belošević-Čavor J, Koteski VJ. Electric field gradients in In-111-doped (Hf/Zr)(3)Al-2 and (Hf/Zr)(4)Al-3 mixed compounds: ab initio calculations, perturbed angular correlation measurements and site preference. in Journal of Physics: Condensed Matter. 2010;22(21).
doi:10.1088/0953-8984/22/21/215501 .

Errico, L. A., Petrilli, H. M., Terrazos, L. A., Kulinska, A., Wodniecki, P., Lieb, K. P., Uhrmacher, M., Belošević-Čavor, Jelena, Koteski, Vasil J., "Electric field gradients in In-111-doped (Hf/Zr)(3)Al-2 and (Hf/Zr)(4)Al-3 mixed compounds: ab initio calculations, perturbed angular correlation measurements and site preference" in Journal of Physics: Condensed Matter, 22, no. 21 (2010),
https://doi.org/10.1088/0953-8984/22/21/215501 . .

TY  - JOUR
AU  - Wodniecki, P.
AU  - Kulinska, A.
AU  - Wodniecka, B.
AU  - Belošević-Čavor, Jelena
AU  - Koteski, Vasil J.
AU  - Uhrmacher, M.
PY  - 2009
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3710
AB  - The hyperfine quadrupole interaction parameters and their temperature dependences for (181)Ta and (111)Cd probes in Ti(2)Pd compound were determined experimentally by means of the perturbed angular correlation (PAC) technique. In addition, ab initio calculations using all-electron augmented plane wave plus local orbitals (APW + lo) method have been performed. Through the comparison of the calculated and measured electric field gradients (EFG) it was established that both Ta and Cd occupy 4(e) Ti position in the Ti(2)Pd compound. (C) 2008 Elsevier B.V. All rights reserved.
T2  - Journal of Alloys and Compounds
T1  - Electric field gradients at Ta and Cd in Ti(2)Pd compound
VL  - 477
IS  - 1-2
SP  - 36
EP  - 39
DO  - 10.1016/j.jallcom.2008.10.099
ER  - 

@article{
author = "Wodniecki, P. and Kulinska, A. and Wodniecka, B. and Belošević-Čavor, Jelena and Koteski, Vasil J. and Uhrmacher, M.",
year = "2009",
abstract = "The hyperfine quadrupole interaction parameters and their temperature dependences for (181)Ta and (111)Cd probes in Ti(2)Pd compound were determined experimentally by means of the perturbed angular correlation (PAC) technique. In addition, ab initio calculations using all-electron augmented plane wave plus local orbitals (APW + lo) method have been performed. Through the comparison of the calculated and measured electric field gradients (EFG) it was established that both Ta and Cd occupy 4(e) Ti position in the Ti(2)Pd compound. (C) 2008 Elsevier B.V. All rights reserved.",
journal = "Journal of Alloys and Compounds",
title = "Electric field gradients at Ta and Cd in Ti(2)Pd compound",
volume = "477",
number = "1-2",
pages = "36-39",
doi = "10.1016/j.jallcom.2008.10.099"
}

Wodniecki, P., Kulinska, A., Wodniecka, B., Belošević-Čavor, J., Koteski, V. J.,& Uhrmacher, M.. (2009). Electric field gradients at Ta and Cd in Ti(2)Pd compound. in Journal of Alloys and Compounds, 477(1-2), 36-39.
https://doi.org/10.1016/j.jallcom.2008.10.099

Wodniecki P, Kulinska A, Wodniecka B, Belošević-Čavor J, Koteski VJ, Uhrmacher M. Electric field gradients at Ta and Cd in Ti(2)Pd compound. in Journal of Alloys and Compounds. 2009;477(1-2):36-39.
doi:10.1016/j.jallcom.2008.10.099 .

Wodniecki, P., Kulinska, A., Wodniecka, B., Belošević-Čavor, Jelena, Koteski, Vasil J., Uhrmacher, M., "Electric field gradients at Ta and Cd in Ti(2)Pd compound" in Journal of Alloys and Compounds, 477, no. 1-2 (2009):36-39,
https://doi.org/10.1016/j.jallcom.2008.10.099 . .

TY  - JOUR
AU  - Wodniecki, P.
AU  - Kulinska, A.
AU  - Wodniecka, B.
AU  - Belošević-Čavor, Jelena
AU  - Koteski, Vasil J.
PY  - 2009
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3725
AB  - The hyperfine quadrupole interaction parameters and their temperature dependence for Hf-181/Ta-181 probe in TiAl3 compound were determined using the time differential perturbed angular correlation (TDPAC) method. in addition, ab initio calculations using the augmented plane wave plus local orbitals (APW+ lo) method as implemented in the WIEN2k code, within the framework of the density functional theory(DFT) have been performed. Through the comparison of the calculated and measured electric field gradients (EFG) it was established that Ta occupies Ti 2(a) position, while Cd probe is settled at the Al 4(d) site. (c) 2009 Elsevier B.V. All rights reserved.
T2  - Journal of Alloys and Compounds
T1  - Experimental and ab initio study of the electric field gradients at Ta and Cd impurities in TiAl3
VL  - 479
IS  - 1-2
SP  - 56
EP  - 59
DO  - 10.1016/j.jallcom.2009.01.018
ER  - 

@article{
author = "Wodniecki, P. and Kulinska, A. and Wodniecka, B. and Belošević-Čavor, Jelena and Koteski, Vasil J.",
year = "2009",
abstract = "The hyperfine quadrupole interaction parameters and their temperature dependence for Hf-181/Ta-181 probe in TiAl3 compound were determined using the time differential perturbed angular correlation (TDPAC) method. in addition, ab initio calculations using the augmented plane wave plus local orbitals (APW+ lo) method as implemented in the WIEN2k code, within the framework of the density functional theory(DFT) have been performed. Through the comparison of the calculated and measured electric field gradients (EFG) it was established that Ta occupies Ti 2(a) position, while Cd probe is settled at the Al 4(d) site. (c) 2009 Elsevier B.V. All rights reserved.",
journal = "Journal of Alloys and Compounds",
title = "Experimental and ab initio study of the electric field gradients at Ta and Cd impurities in TiAl3",
volume = "479",
number = "1-2",
pages = "56-59",
doi = "10.1016/j.jallcom.2009.01.018"
}

Wodniecki, P., Kulinska, A., Wodniecka, B., Belošević-Čavor, J.,& Koteski, V. J.. (2009). Experimental and ab initio study of the electric field gradients at Ta and Cd impurities in TiAl3. in Journal of Alloys and Compounds, 479(1-2), 56-59.
https://doi.org/10.1016/j.jallcom.2009.01.018

Wodniecki P, Kulinska A, Wodniecka B, Belošević-Čavor J, Koteski VJ. Experimental and ab initio study of the electric field gradients at Ta and Cd impurities in TiAl3. in Journal of Alloys and Compounds. 2009;479(1-2):56-59.
doi:10.1016/j.jallcom.2009.01.018 .

Wodniecki, P., Kulinska, A., Wodniecka, B., Belošević-Čavor, Jelena, Koteski, Vasil J., "Experimental and ab initio study of the electric field gradients at Ta and Cd impurities in TiAl3" in Journal of Alloys and Compounds, 479, no. 1-2 (2009):56-59,
https://doi.org/10.1016/j.jallcom.2009.01.018 . .