TY  - JOUR
AU  - Novita, Mega
AU  - Chauhan, Alok Singh
AU  - Ujianti, Rizky Muliani Dwi
AU  - Marlina, Dian
AU  - Kusumo, Haryo
AU  - Anwar, Muchamad Taufiq
AU  - Piasecki, Michał
AU  - Brik, Mikhail G.
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12869
AB  - In the pursuit of enhancing red phosphor materials, integrating Deep Learning (DL) and machine Learning (ML) techniques has emerged as a transformative avenue. Challenges persist, necessitating comprehensive exploration and detailed comparative analysis of methods, focusing on predictive accuracy, interpretability, and computational demands. The role of regression models and their coefficients in material property prediction requires in-depth investigation. A systematic approach was employed, leveraging literature reviews and comparative analyses. Relevant articles were meticulously selected, focusing on methodologies and algorithms in predicting material properties. The study aimed to explore the integration of DL and ML in advancing red phosphor materials, evaluating algorithms and seven different regression models. Linear Regression, Robust Regression, and Lasso Regression emerged as top-performing models in predicting red phosphor material properties, specifically the 2E energy of Mn4+ doped crystals, supported by comprehensive coefficient analysis. This research offers valuable insights, informing the selection of models for specific tasks and optimizing the integration of DL and ML techniques in the field of red phosphor materials.
T2  - Journal of Luminescence
T1  - Exploring deep learning and machine learning for novel red phosphor materials
VL  - 269
SP  - 120476
DO  - 10.1016/j.jlumin.2024.120476
ER  - 

@article{
author = "Novita, Mega and Chauhan, Alok Singh and Ujianti, Rizky Muliani Dwi and Marlina, Dian and Kusumo, Haryo and Anwar, Muchamad Taufiq and Piasecki, Michał and Brik, Mikhail G.",
year = "2024",
abstract = "In the pursuit of enhancing red phosphor materials, integrating Deep Learning (DL) and machine Learning (ML) techniques has emerged as a transformative avenue. Challenges persist, necessitating comprehensive exploration and detailed comparative analysis of methods, focusing on predictive accuracy, interpretability, and computational demands. The role of regression models and their coefficients in material property prediction requires in-depth investigation. A systematic approach was employed, leveraging literature reviews and comparative analyses. Relevant articles were meticulously selected, focusing on methodologies and algorithms in predicting material properties. The study aimed to explore the integration of DL and ML in advancing red phosphor materials, evaluating algorithms and seven different regression models. Linear Regression, Robust Regression, and Lasso Regression emerged as top-performing models in predicting red phosphor material properties, specifically the 2E energy of Mn4+ doped crystals, supported by comprehensive coefficient analysis. This research offers valuable insights, informing the selection of models for specific tasks and optimizing the integration of DL and ML techniques in the field of red phosphor materials.",
journal = "Journal of Luminescence",
title = "Exploring deep learning and machine learning for novel red phosphor materials",
volume = "269",
pages = "120476",
doi = "10.1016/j.jlumin.2024.120476"
}

Novita, M., Chauhan, A. S., Ujianti, R. M. D., Marlina, D., Kusumo, H., Anwar, M. T., Piasecki, M.,& Brik, M. G.. (2024). Exploring deep learning and machine learning for novel red phosphor materials. in Journal of Luminescence, 269, 120476.
https://doi.org/10.1016/j.jlumin.2024.120476

Novita M, Chauhan AS, Ujianti RMD, Marlina D, Kusumo H, Anwar MT, Piasecki M, Brik MG. Exploring deep learning and machine learning for novel red phosphor materials. in Journal of Luminescence. 2024;269:120476.
doi:10.1016/j.jlumin.2024.120476 .

Novita, Mega, Chauhan, Alok Singh, Ujianti, Rizky Muliani Dwi, Marlina, Dian, Kusumo, Haryo, Anwar, Muchamad Taufiq, Piasecki, Michał, Brik, Mikhail G., "Exploring deep learning and machine learning for novel red phosphor materials" in Journal of Luminescence, 269 (2024):120476,
https://doi.org/10.1016/j.jlumin.2024.120476 . .

TY  - JOUR
AU  - Racu, Andrei V.
AU  - Ristić, Zoran
AU  - Ćirić, Aleksandar
AU  - Ðorđević, Vesna
AU  - Buse, Gabriel
AU  - Poienar, Maria
AU  - Gutmann, Michael J.
AU  - Ivashko, Oleh
AU  - Stef, Marius
AU  - Vizman, Daniel
AU  - Dramićanin, Miroslav
AU  - Piasecki, Michal
AU  - Brik, Mikhail G.
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10561
AB  - The understanding of complex relationships between luminescent properties, local symmetry of an emitting center, and the host crystal structure provides a better insight into optical properties of materials. In this work, the alkaline earths CaF2 and BaF2 fluoride crystals doped with 0.1 mol% ErF3 were investigated. The crystals structure has been studied using a synchrotron and laboratory X-ray diffraction. The C3v and C4v sites symmetry were determined using erbium probed high resolution emission spectroscopy (HRPL) at low temperature (LT) of 10 K. The considerable difference in room temperature (RT) optical properties for CaF2 compared to BaF2 crystals was observed. Such difference in absorption intensity of 4.7 times of erbium 4G11/2 manifold in UV, and 7.5 times in green emission from 4S3/2 manifold, could be due to the distinction in the host crystals cationic radius (ΔrCa,Ba) and the dopant-host ionic radius (ΔrCa-Er, ΔrBa-Er). Those Δr differences influence the structure and lead to the following symmetry formation: In CaF2, the C4v and C3v isolated centers were identified, with the determined Er3+- F−i bond lengths of 2.734 Å and 4.735 Å respectively; In BaF2, only C3v isolated centers were identified with the determined Er3+- F−i bond lengths of 5.380 Å. The present work is the first study that takes into account correlations of optical properties, the local symmetry and the structure in mentioned fluorides crystals, and it could be a step forward in the lanthanide doped optical materials systematics.
T2  - Optical Materials
T1  - Analysis of site symmetries of Er3+ doped CaF2 and BaF2 crystals by high resolution photoluminescence spectroscopy
VL  - 136
SP  - 113337
DO  - 10.1016/j.optmat.2022.113337
ER  - 

@article{
author = "Racu, Andrei V. and Ristić, Zoran and Ćirić, Aleksandar and Ðorđević, Vesna and Buse, Gabriel and Poienar, Maria and Gutmann, Michael J. and Ivashko, Oleh and Stef, Marius and Vizman, Daniel and Dramićanin, Miroslav and Piasecki, Michal and Brik, Mikhail G.",
year = "2023",
abstract = "The understanding of complex relationships between luminescent properties, local symmetry of an emitting center, and the host crystal structure provides a better insight into optical properties of materials. In this work, the alkaline earths CaF2 and BaF2 fluoride crystals doped with 0.1 mol% ErF3 were investigated. The crystals structure has been studied using a synchrotron and laboratory X-ray diffraction. The C3v and C4v sites symmetry were determined using erbium probed high resolution emission spectroscopy (HRPL) at low temperature (LT) of 10 K. The considerable difference in room temperature (RT) optical properties for CaF2 compared to BaF2 crystals was observed. Such difference in absorption intensity of 4.7 times of erbium 4G11/2 manifold in UV, and 7.5 times in green emission from 4S3/2 manifold, could be due to the distinction in the host crystals cationic radius (ΔrCa,Ba) and the dopant-host ionic radius (ΔrCa-Er, ΔrBa-Er). Those Δr differences influence the structure and lead to the following symmetry formation: In CaF2, the C4v and C3v isolated centers were identified, with the determined Er3+- F−i bond lengths of 2.734 Å and 4.735 Å respectively; In BaF2, only C3v isolated centers were identified with the determined Er3+- F−i bond lengths of 5.380 Å. The present work is the first study that takes into account correlations of optical properties, the local symmetry and the structure in mentioned fluorides crystals, and it could be a step forward in the lanthanide doped optical materials systematics.",
journal = "Optical Materials",
title = "Analysis of site symmetries of Er3+ doped CaF2 and BaF2 crystals by high resolution photoluminescence spectroscopy",
volume = "136",
pages = "113337",
doi = "10.1016/j.optmat.2022.113337"
}

Racu, A. V., Ristić, Z., Ćirić, A., Ðorđević, V., Buse, G., Poienar, M., Gutmann, M. J., Ivashko, O., Stef, M., Vizman, D., Dramićanin, M., Piasecki, M.,& Brik, M. G.. (2023). Analysis of site symmetries of Er3+ doped CaF2 and BaF2 crystals by high resolution photoluminescence spectroscopy. in Optical Materials, 136, 113337.
https://doi.org/10.1016/j.optmat.2022.113337

Racu AV, Ristić Z, Ćirić A, Ðorđević V, Buse G, Poienar M, Gutmann MJ, Ivashko O, Stef M, Vizman D, Dramićanin M, Piasecki M, Brik MG. Analysis of site symmetries of Er3+ doped CaF2 and BaF2 crystals by high resolution photoluminescence spectroscopy. in Optical Materials. 2023;136:113337.
doi:10.1016/j.optmat.2022.113337 .

Racu, Andrei V., Ristić, Zoran, Ćirić, Aleksandar, Ðorđević, Vesna, Buse, Gabriel, Poienar, Maria, Gutmann, Michael J., Ivashko, Oleh, Stef, Marius, Vizman, Daniel, Dramićanin, Miroslav, Piasecki, Michal, Brik, Mikhail G., "Analysis of site symmetries of Er3+ doped CaF2 and BaF2 crystals by high resolution photoluminescence spectroscopy" in Optical Materials, 136 (2023):113337,
https://doi.org/10.1016/j.optmat.2022.113337 . .

TY  - JOUR
AU  - Srivastava, Alok M.
AU  - Brik, Mikhail G.
AU  - Beers, William W.
AU  - Ma, Chong-Geng
AU  - Piasecki, Michal
AU  - Cohen, William E.
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10610
AB  - A comparative study of Eu3+ luminescence in an isostructural series of phosphate and vanadate compounds correlates the hypersensitivity of the 5D0→7F2 transition to the covalence and polarizability of the (XO4)3- (X = P, V) polyanion. The intensity of this transition, as measured by the ratio, [Formula presented], is always higher in the vanadate system [R (PO4)3-« R (VO4)3-]. Electronic energy band structure of these systems establishes higher covalence and polarizability of the (VO4)3- polyanion, which is due to strong V 3 d - O 2p covalent interaction via hybridization. The difference in the intensity of the hypersensitive transition between the phosphate and vanadate systems is consistent with the prediction of the ligand dipolar polarization model for the 4f-4f dipolar intensities. Our analysis supports the polarizability of (XO4)3- (X = P, V) over local site distortion effects as the intensity enhancing mechanism of the 5D0→7F2 transition. It is pointed out that the hybridization effect that serves as the source of the intensity of hypersensitive transition also accounts for the origin of second harmonic generation (SHG) in Li3VO4 and its absence in Li3PO4. © 2023 Elsevier B.V.
T2  - Journal of Luminescence
T1  - Intensity of the Eu3+ hypersensitive transition in isostructural phosphate and vanadate compounds
VL  - 257
DO  - 10.1016/j.jlumin.2023.119709
ER  - 

@article{
author = "Srivastava, Alok M. and Brik, Mikhail G. and Beers, William W. and Ma, Chong-Geng and Piasecki, Michal and Cohen, William E.",
year = "2023",
abstract = "A comparative study of Eu3+ luminescence in an isostructural series of phosphate and vanadate compounds correlates the hypersensitivity of the 5D0→7F2 transition to the covalence and polarizability of the (XO4)3- (X = P, V) polyanion. The intensity of this transition, as measured by the ratio, [Formula presented], is always higher in the vanadate system [R (PO4)3-« R (VO4)3-]. Electronic energy band structure of these systems establishes higher covalence and polarizability of the (VO4)3- polyanion, which is due to strong V 3 d - O 2p covalent interaction via hybridization. The difference in the intensity of the hypersensitive transition between the phosphate and vanadate systems is consistent with the prediction of the ligand dipolar polarization model for the 4f-4f dipolar intensities. Our analysis supports the polarizability of (XO4)3- (X = P, V) over local site distortion effects as the intensity enhancing mechanism of the 5D0→7F2 transition. It is pointed out that the hybridization effect that serves as the source of the intensity of hypersensitive transition also accounts for the origin of second harmonic generation (SHG) in Li3VO4 and its absence in Li3PO4. © 2023 Elsevier B.V.",
journal = "Journal of Luminescence",
title = "Intensity of the Eu3+ hypersensitive transition in isostructural phosphate and vanadate compounds",
volume = "257",
doi = "10.1016/j.jlumin.2023.119709"
}

Srivastava, A. M., Brik, M. G., Beers, W. W., Ma, C., Piasecki, M.,& Cohen, W. E.. (2023). Intensity of the Eu3+ hypersensitive transition in isostructural phosphate and vanadate compounds. in Journal of Luminescence, 257.
https://doi.org/10.1016/j.jlumin.2023.119709

Srivastava AM, Brik MG, Beers WW, Ma C, Piasecki M, Cohen WE. Intensity of the Eu3+ hypersensitive transition in isostructural phosphate and vanadate compounds. in Journal of Luminescence. 2023;257.
doi:10.1016/j.jlumin.2023.119709 .

Srivastava, Alok M., Brik, Mikhail G., Beers, William W., Ma, Chong-Geng, Piasecki, Michal, Cohen, William E., "Intensity of the Eu3+ hypersensitive transition in isostructural phosphate and vanadate compounds" in Journal of Luminescence, 257 (2023),
https://doi.org/10.1016/j.jlumin.2023.119709 . .

TY  - JOUR
AU  - Novita, Mega
AU  - Ristanto, Sigit
AU  - Saptaningrum, Ernawati
AU  - Supriyadi, Slemet
AU  - Marlina, Dian
AU  - Rondonuwu, Ferdy Semuel
AU  - Chauhan, Alok Singh
AU  - Walker, Benjamin
AU  - Ogasawara, Kazuyoshi
AU  - Piasecki, Michal
AU  - Brik, Mikhail G.
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/11098
AB  - The crystals of Mn4+-activated fluorides, such as those of the hexafluorometallate family, are widely known for their luminescence properties. The most commonly reported red phosphors are A2XF6: Mn4+ and BXF6: Mn4+ fluorides, where A represents alkali metal ions such as Li, Na, K, Rb, Cs; X=Ti, Si, Ge, Zr, Sn, B = Ba and Zn; and X = Si, Ge, Zr, Sn, and Ti. Their performance is heavily influenced by the local structure around dopant ions. Many well-known research organizations have focused their attention on this area in recent years. However, there has been no report on the effect of local structural symmetrization on the luminescence properties of red phosphors. The purpose of this research was to investigate the effect of local structural symmetrization on the polytypes of K2XF6 crystals, namely Oh-K2MnF6, C3v-K2MnF6, Oh-K2SiF6, C3v-K2SiF6, D3d-K2GeF6, and C3v-K2GeF6. These crystal formations yielded seven-atom model clusters. Discrete Variational Xα (DV-Xα) and Discrete Variational Multi Electron (DVME) were the first principles methods used to compute the Molecular orbital energies, multiplet energy levels, and Coulomb integrals of these compounds. The multiplet energies of Mn4+ doped K2XF6 crystals were qualitatively reproduced by taking lattice relaxation, Configuration Dependent Correction (CDC), and Correlation Correction (CC) into account. The 4A2g→4T2g (4F) and 4A2g→4T1g (4F) energies increased when the Mn-F bond length decreased, but the 2Eg → 4A2g energy decreased. Because of the low symmetry, the magnitude of the Coulomb integral became smaller. As a result, the decreasing trend in the R-line energy could be attributed to a decreased electron–electron repulsion. © 2023 by the authors.
T2  - Materials
T1  - Study on Local-Structure Symmetrization of K2XF6 Crystals Doped with Mn4+ Ions by First-Principles Calculations
VL  - 16
IS  - 11
DO  - 10.3390/ma16114046
ER  - 

@article{
author = "Novita, Mega and Ristanto, Sigit and Saptaningrum, Ernawati and Supriyadi, Slemet and Marlina, Dian and Rondonuwu, Ferdy Semuel and Chauhan, Alok Singh and Walker, Benjamin and Ogasawara, Kazuyoshi and Piasecki, Michal and Brik, Mikhail G.",
year = "2023",
abstract = "The crystals of Mn4+-activated fluorides, such as those of the hexafluorometallate family, are widely known for their luminescence properties. The most commonly reported red phosphors are A2XF6: Mn4+ and BXF6: Mn4+ fluorides, where A represents alkali metal ions such as Li, Na, K, Rb, Cs; X=Ti, Si, Ge, Zr, Sn, B = Ba and Zn; and X = Si, Ge, Zr, Sn, and Ti. Their performance is heavily influenced by the local structure around dopant ions. Many well-known research organizations have focused their attention on this area in recent years. However, there has been no report on the effect of local structural symmetrization on the luminescence properties of red phosphors. The purpose of this research was to investigate the effect of local structural symmetrization on the polytypes of K2XF6 crystals, namely Oh-K2MnF6, C3v-K2MnF6, Oh-K2SiF6, C3v-K2SiF6, D3d-K2GeF6, and C3v-K2GeF6. These crystal formations yielded seven-atom model clusters. Discrete Variational Xα (DV-Xα) and Discrete Variational Multi Electron (DVME) were the first principles methods used to compute the Molecular orbital energies, multiplet energy levels, and Coulomb integrals of these compounds. The multiplet energies of Mn4+ doped K2XF6 crystals were qualitatively reproduced by taking lattice relaxation, Configuration Dependent Correction (CDC), and Correlation Correction (CC) into account. The 4A2g→4T2g (4F) and 4A2g→4T1g (4F) energies increased when the Mn-F bond length decreased, but the 2Eg → 4A2g energy decreased. Because of the low symmetry, the magnitude of the Coulomb integral became smaller. As a result, the decreasing trend in the R-line energy could be attributed to a decreased electron–electron repulsion. © 2023 by the authors.",
journal = "Materials",
title = "Study on Local-Structure Symmetrization of K2XF6 Crystals Doped with Mn4+ Ions by First-Principles Calculations",
volume = "16",
number = "11",
doi = "10.3390/ma16114046"
}

Novita, M., Ristanto, S., Saptaningrum, E., Supriyadi, S., Marlina, D., Rondonuwu, F. S., Chauhan, A. S., Walker, B., Ogasawara, K., Piasecki, M.,& Brik, M. G.. (2023). Study on Local-Structure Symmetrization of K2XF6 Crystals Doped with Mn4+ Ions by First-Principles Calculations. in Materials, 16(11).
https://doi.org/10.3390/ma16114046

Novita M, Ristanto S, Saptaningrum E, Supriyadi S, Marlina D, Rondonuwu FS, Chauhan AS, Walker B, Ogasawara K, Piasecki M, Brik MG. Study on Local-Structure Symmetrization of K2XF6 Crystals Doped with Mn4+ Ions by First-Principles Calculations. in Materials. 2023;16(11).
doi:10.3390/ma16114046 .

Novita, Mega, Ristanto, Sigit, Saptaningrum, Ernawati, Supriyadi, Slemet, Marlina, Dian, Rondonuwu, Ferdy Semuel, Chauhan, Alok Singh, Walker, Benjamin, Ogasawara, Kazuyoshi, Piasecki, Michal, Brik, Mikhail G., "Study on Local-Structure Symmetrization of K2XF6 Crystals Doped with Mn4+ Ions by First-Principles Calculations" in Materials, 16, no. 11 (2023),
https://doi.org/10.3390/ma16114046 . .

TY  - JOUR
AU  - Srivastava, Alok M.
AU  - Brik, Mikhail
AU  - Beers, William W.
AU  - Lou, B.
AU  - Ma, C.-G.
AU  - Piasecki, Michal
AU  - Cohen, William E.
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/11170
AB  - A comparative study of Eu3+ ion luminescence in YXO4 (X=P, As, V) with the tetragonal zircon structure is conducted in relation to the intensity of the hypersensitivity 5D0 → 7F2 Δ J = 2 transition. Both the asymmetry ratio, R = I 5 D 0 − 7 F 2 I 5 D 0 − 7 F 1 , and the Judd-Ofelt Ω2 intensity parameter increases in the order YPO4 < YAsO4 < YVO4. This correlation is interpreted qualitatively in terms of the covalency and polarizability of (XO4)3−, which increases in the order (PO4)3− < (AsO4)3− < (VO4)3−. The trend is supported by the results of electronic band structure calculations of the three compounds which establish the strength of hybridization between the X cation and the oxygen 2p states. The electronic structure of YAsO4 is calculated to probe the covalence of As-O bonding. The increasing oscillator strength of the Eu3+5D0 → 7F2 transition in going from YPO4 to YAsO4 to YVO4 is consistent with the expectation of ligand dipolar polarization model for hypersensitivity which states that the oscillator strength of the 5D0 → 7F2 transition is proportional to the square of the ligand dipolar polarizability. The connection between the mechanism of hypersensitivity and second harmonic generation (SHG) is presented. © 2023 The Electrochemical Society (“ECS”). Published on behalf of ECS by IOP Publishing Limited.
T2  - ECS Journal of Solid State Science and Technology
T1  - Orbital Hybridization and Hypersensitivity of Eu3+ in YXO4 (X=P, As, V)
VL  - 12
IS  - 6
SP  - 066001
DO  - 10.1149/2162-8777/acd80f
ER  - 

@article{
author = "Srivastava, Alok M. and Brik, Mikhail and Beers, William W. and Lou, B. and Ma, C.-G. and Piasecki, Michal and Cohen, William E.",
year = "2023",
abstract = "A comparative study of Eu3+ ion luminescence in YXO4 (X=P, As, V) with the tetragonal zircon structure is conducted in relation to the intensity of the hypersensitivity 5D0 → 7F2 Δ J = 2 transition. Both the asymmetry ratio, R = I 5 D 0 − 7 F 2 I 5 D 0 − 7 F 1 , and the Judd-Ofelt Ω2 intensity parameter increases in the order YPO4 < YAsO4 < YVO4. This correlation is interpreted qualitatively in terms of the covalency and polarizability of (XO4)3−, which increases in the order (PO4)3− < (AsO4)3− < (VO4)3−. The trend is supported by the results of electronic band structure calculations of the three compounds which establish the strength of hybridization between the X cation and the oxygen 2p states. The electronic structure of YAsO4 is calculated to probe the covalence of As-O bonding. The increasing oscillator strength of the Eu3+5D0 → 7F2 transition in going from YPO4 to YAsO4 to YVO4 is consistent with the expectation of ligand dipolar polarization model for hypersensitivity which states that the oscillator strength of the 5D0 → 7F2 transition is proportional to the square of the ligand dipolar polarizability. The connection between the mechanism of hypersensitivity and second harmonic generation (SHG) is presented. © 2023 The Electrochemical Society (“ECS”). Published on behalf of ECS by IOP Publishing Limited.",
journal = "ECS Journal of Solid State Science and Technology",
title = "Orbital Hybridization and Hypersensitivity of Eu3+ in YXO4 (X=P, As, V)",
volume = "12",
number = "6",
pages = "066001",
doi = "10.1149/2162-8777/acd80f"
}

Srivastava, A. M., Brik, M., Beers, W. W., Lou, B., Ma, C.-G., Piasecki, M.,& Cohen, W. E.. (2023). Orbital Hybridization and Hypersensitivity of Eu3+ in YXO4 (X=P, As, V). in ECS Journal of Solid State Science and Technology, 12(6), 066001.
https://doi.org/10.1149/2162-8777/acd80f

Srivastava AM, Brik M, Beers WW, Lou B, Ma C, Piasecki M, Cohen WE. Orbital Hybridization and Hypersensitivity of Eu3+ in YXO4 (X=P, As, V). in ECS Journal of Solid State Science and Technology. 2023;12(6):066001.
doi:10.1149/2162-8777/acd80f .

Srivastava, Alok M., Brik, Mikhail, Beers, William W., Lou, B., Ma, C.-G., Piasecki, Michal, Cohen, William E., "Orbital Hybridization and Hypersensitivity of Eu3+ in YXO4 (X=P, As, V)" in ECS Journal of Solid State Science and Technology, 12, no. 6 (2023):066001,
https://doi.org/10.1149/2162-8777/acd80f . .

TY  - JOUR
AU  - Mironova-Ulmane, Nina
AU  - Brik, Mikhail G.
AU  - Grube, Jurgis
AU  - Krieke, Guna
AU  - Kemere, Meldra
AU  - Antuzevics, Andris
AU  - Gabrusenoks, E.
AU  - Skvortsova, Vera N.
AU  - Elsts, Edgars
AU  - Sarakovskis, Anatolijs
AU  - Piasecki, Michal
AU  - Popov, Anatoli I.
PY  - 2022
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10397
AB  - The optical spectra of a single crystal of α-Al2O3Cr3+ were studied in a wide temperature range. The crystal was demonstrated to have a potential for optical thermometric applications. Three ways of measuring temperature were tested and analyzed: i) luminescence intensity ratio of the R1 and R2 lines; ii) change of the full width of half maxima of the R1 and R2 lines, and iii) thermal shifts of the R1 and R2 lines maxima. The highest absolute and relative sensitivities were obtained at cryogenic temperatures. In addition, the thermal shifts of the R lines were analyzed using the McCumber-Sturge equation to estimate the Debye temperature and the electron-vibrational interaction parameter.
T2  - Optical Materials
T1  - EPR, optical and thermometric studies of Cr3+ ions in the α-Al2O3 synthetic single crystal
VL  - 132
SP  - 112859
DO  - 10.1016/j.optmat.2022.112859
ER  - 

@article{
author = "Mironova-Ulmane, Nina and Brik, Mikhail G. and Grube, Jurgis and Krieke, Guna and Kemere, Meldra and Antuzevics, Andris and Gabrusenoks, E. and Skvortsova, Vera N. and Elsts, Edgars and Sarakovskis, Anatolijs and Piasecki, Michal and Popov, Anatoli I.",
year = "2022",
abstract = "The optical spectra of a single crystal of α-Al2O3Cr3+ were studied in a wide temperature range. The crystal was demonstrated to have a potential for optical thermometric applications. Three ways of measuring temperature were tested and analyzed: i) luminescence intensity ratio of the R1 and R2 lines; ii) change of the full width of half maxima of the R1 and R2 lines, and iii) thermal shifts of the R1 and R2 lines maxima. The highest absolute and relative sensitivities were obtained at cryogenic temperatures. In addition, the thermal shifts of the R lines were analyzed using the McCumber-Sturge equation to estimate the Debye temperature and the electron-vibrational interaction parameter.",
journal = "Optical Materials",
title = "EPR, optical and thermometric studies of Cr3+ ions in the α-Al2O3 synthetic single crystal",
volume = "132",
pages = "112859",
doi = "10.1016/j.optmat.2022.112859"
}

Mironova-Ulmane, N., Brik, M. G., Grube, J., Krieke, G., Kemere, M., Antuzevics, A., Gabrusenoks, E., Skvortsova, V. N., Elsts, E., Sarakovskis, A., Piasecki, M.,& Popov, A. I.. (2022). EPR, optical and thermometric studies of Cr3+ ions in the α-Al2O3 synthetic single crystal. in Optical Materials, 132, 112859.
https://doi.org/10.1016/j.optmat.2022.112859

Mironova-Ulmane N, Brik MG, Grube J, Krieke G, Kemere M, Antuzevics A, Gabrusenoks E, Skvortsova VN, Elsts E, Sarakovskis A, Piasecki M, Popov AI. EPR, optical and thermometric studies of Cr3+ ions in the α-Al2O3 synthetic single crystal. in Optical Materials. 2022;132:112859.
doi:10.1016/j.optmat.2022.112859 .

Mironova-Ulmane, Nina, Brik, Mikhail G., Grube, Jurgis, Krieke, Guna, Kemere, Meldra, Antuzevics, Andris, Gabrusenoks, E., Skvortsova, Vera N., Elsts, Edgars, Sarakovskis, Anatolijs, Piasecki, Michal, Popov, Anatoli I., "EPR, optical and thermometric studies of Cr3+ ions in the α-Al2O3 synthetic single crystal" in Optical Materials, 132 (2022):112859,
https://doi.org/10.1016/j.optmat.2022.112859 . .

TY  - JOUR
AU  - Wu, Bing
AU  - Yang, Menglin
AU  - Yan, Yanci
AU  - Ma, Chonggeng
AU  - Zhang, Hongwu
AU  - Brik, Mikhail G.
AU  - Dramićanin, Miroslav
AU  - Valiev, Uygun V.
AU  - Piasecki, Michał M.
PY  - 2021
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9758
AB  - Elpasolite crystals are very important materials, both from the applied and fundamental points of view. Those elpasolites, which contain rare earth ions with a high atomic number Z, are very much suitable for the low-cost high-performance gamma-ray detection, applications in medicine, food industry, nuclear energy production, processing, and detection of nuclear proliferation. The thermal and structural stabilities are important parameters required for detecting applications, because the performance conditions for such devices are usually very harsh. Since it is widely believed that elpasolites may have even better detection properties, the lack of systematic studies on the elpasolites and thus the unavailability of reliable data on their physical properties and trends in their variation caused by chemical composition considerably hinders search for more efficient new materials. Therefore, to fill in this gap and provide with all essential information about a large number of elpasolites crystals, for the first time, the structural stability, elastic, vibrational, and electronic properties of 60 cubic elpasolite Cs2NaLnX6 (Ln = La, …, Lu, X = F, Cl, Br, I) crystals were consistently calculated in the framework of the same computational approach based on the density functional theory (DFT). Variation of all calculated parameters (such as the lattice constants, elastic constants, Debye temperature, normal vibrational modes frequencies, Mulliken effective charges, bond populations, and band gaps) across the considered groups of crystals was analyzed and several trends, which are important for the search and preparation of new stable materials with improved performance, were identified. © 2020 The American Ceramic Society (ACERS)
T2  - Journal of the American Ceramic Society
T1  - Effects of chemical composition on the structural stability, elastic, vibrational, and electronic properties of Cs2NaLnX6 (Ln = La…Lu, X = F, Cl, Br, I) elpasolites
VL  - 104
IS  - 3
SP  - 1489
EP  - 1500
DO  - 10.1111/jace.17565
ER  - 

@article{
author = "Wu, Bing and Yang, Menglin and Yan, Yanci and Ma, Chonggeng and Zhang, Hongwu and Brik, Mikhail G. and Dramićanin, Miroslav and Valiev, Uygun V. and Piasecki, Michał M.",
year = "2021",
abstract = "Elpasolite crystals are very important materials, both from the applied and fundamental points of view. Those elpasolites, which contain rare earth ions with a high atomic number Z, are very much suitable for the low-cost high-performance gamma-ray detection, applications in medicine, food industry, nuclear energy production, processing, and detection of nuclear proliferation. The thermal and structural stabilities are important parameters required for detecting applications, because the performance conditions for such devices are usually very harsh. Since it is widely believed that elpasolites may have even better detection properties, the lack of systematic studies on the elpasolites and thus the unavailability of reliable data on their physical properties and trends in their variation caused by chemical composition considerably hinders search for more efficient new materials. Therefore, to fill in this gap and provide with all essential information about a large number of elpasolites crystals, for the first time, the structural stability, elastic, vibrational, and electronic properties of 60 cubic elpasolite Cs2NaLnX6 (Ln = La, …, Lu, X = F, Cl, Br, I) crystals were consistently calculated in the framework of the same computational approach based on the density functional theory (DFT). Variation of all calculated parameters (such as the lattice constants, elastic constants, Debye temperature, normal vibrational modes frequencies, Mulliken effective charges, bond populations, and band gaps) across the considered groups of crystals was analyzed and several trends, which are important for the search and preparation of new stable materials with improved performance, were identified. © 2020 The American Ceramic Society (ACERS)",
journal = "Journal of the American Ceramic Society",
title = "Effects of chemical composition on the structural stability, elastic, vibrational, and electronic properties of Cs2NaLnX6 (Ln = La…Lu, X = F, Cl, Br, I) elpasolites",
volume = "104",
number = "3",
pages = "1489-1500",
doi = "10.1111/jace.17565"
}

Wu, B., Yang, M., Yan, Y., Ma, C., Zhang, H., Brik, M. G., Dramićanin, M., Valiev, U. V.,& Piasecki, M. M.. (2021). Effects of chemical composition on the structural stability, elastic, vibrational, and electronic properties of Cs2NaLnX6 (Ln = La…Lu, X = F, Cl, Br, I) elpasolites. in Journal of the American Ceramic Society, 104(3), 1489-1500.
https://doi.org/10.1111/jace.17565

Wu B, Yang M, Yan Y, Ma C, Zhang H, Brik MG, Dramićanin M, Valiev UV, Piasecki MM. Effects of chemical composition on the structural stability, elastic, vibrational, and electronic properties of Cs2NaLnX6 (Ln = La…Lu, X = F, Cl, Br, I) elpasolites. in Journal of the American Ceramic Society. 2021;104(3):1489-1500.
doi:10.1111/jace.17565 .

Wu, Bing, Yang, Menglin, Yan, Yanci, Ma, Chonggeng, Zhang, Hongwu, Brik, Mikhail G., Dramićanin, Miroslav, Valiev, Uygun V., Piasecki, Michał M., "Effects of chemical composition on the structural stability, elastic, vibrational, and electronic properties of Cs2NaLnX6 (Ln = La…Lu, X = F, Cl, Br, I) elpasolites" in Journal of the American Ceramic Society, 104, no. 3 (2021):1489-1500,
https://doi.org/10.1111/jace.17565 . .