Structural stability of some CsCl structure HfTM (TM = Co, Rh, Ru, Fe) compounds
Нема приказа
Аутори
Novaković, NikolaIvanović, Nenad
Koteski, Vasil J.
Radisavljević, Ivana
Belošević-Čavor, Jelena
Cekić, Božidar Đ.
Чланак у часопису
Метаподаци
Приказ свих података о документуАпстракт
In order to investigate Hf-TM (TM = Fe, Co, Rh, Ru) phase diagrams in the region of 50:50% atomic ratio, we performed an initio Full-Potential Linearized Augmented Plant Waves calculations of the most stable Hf and TM elemental phases and HfTM compounds of the CsGl and CuAu structure types. The obtained electronic structures, cohesive energies and enthalpies of formation are discussed and compared to some of the existing models and available experimental data. The non-existing compound HfFe is found to be at least metastable and the reason for its absence from the phase diagram is discussed. (c) 2006 Elsevier Ltd. All rights reserved.
Кључне речи:
intermetallics, miscellaneous / electronic structure of metals and alloys / ab initio calculations / phase stability, predictionИзвор:
Intermetallics, 2006, 14, 12, 1403-1410
DOI: 10.1016/j.intermet.2006.01.050
ISSN: 0966-9795; 1879-0216
WoS: 000240782800005
Scopus: 2-s2.0-33747593061
Колекције
Институција/група
VinčaTY - JOUR AU - Novaković, Nikola AU - Ivanović, Nenad AU - Koteski, Vasil J. AU - Radisavljević, Ivana AU - Belošević-Čavor, Jelena AU - Cekić, Božidar Đ. PY - 2006 UR - https://vinar.vin.bg.ac.rs/handle/123456789/3090 AB - In order to investigate Hf-TM (TM = Fe, Co, Rh, Ru) phase diagrams in the region of 50:50% atomic ratio, we performed an initio Full-Potential Linearized Augmented Plant Waves calculations of the most stable Hf and TM elemental phases and HfTM compounds of the CsGl and CuAu structure types. The obtained electronic structures, cohesive energies and enthalpies of formation are discussed and compared to some of the existing models and available experimental data. The non-existing compound HfFe is found to be at least metastable and the reason for its absence from the phase diagram is discussed. (c) 2006 Elsevier Ltd. All rights reserved. T2 - Intermetallics T1 - Structural stability of some CsCl structure HfTM (TM = Co, Rh, Ru, Fe) compounds VL - 14 IS - 12 SP - 1403 EP - 1410 DO - 10.1016/j.intermet.2006.01.050 ER -
@article{ author = "Novaković, Nikola and Ivanović, Nenad and Koteski, Vasil J. and Radisavljević, Ivana and Belošević-Čavor, Jelena and Cekić, Božidar Đ.", year = "2006", abstract = "In order to investigate Hf-TM (TM = Fe, Co, Rh, Ru) phase diagrams in the region of 50:50% atomic ratio, we performed an initio Full-Potential Linearized Augmented Plant Waves calculations of the most stable Hf and TM elemental phases and HfTM compounds of the CsGl and CuAu structure types. The obtained electronic structures, cohesive energies and enthalpies of formation are discussed and compared to some of the existing models and available experimental data. The non-existing compound HfFe is found to be at least metastable and the reason for its absence from the phase diagram is discussed. (c) 2006 Elsevier Ltd. All rights reserved.", journal = "Intermetallics", title = "Structural stability of some CsCl structure HfTM (TM = Co, Rh, Ru, Fe) compounds", volume = "14", number = "12", pages = "1403-1410", doi = "10.1016/j.intermet.2006.01.050" }
Novaković, N., Ivanović, N., Koteski, V. J., Radisavljević, I., Belošević-Čavor, J.,& Cekić, B. Đ.. (2006). Structural stability of some CsCl structure HfTM (TM = Co, Rh, Ru, Fe) compounds. in Intermetallics, 14(12), 1403-1410. https://doi.org/10.1016/j.intermet.2006.01.050
Novaković N, Ivanović N, Koteski VJ, Radisavljević I, Belošević-Čavor J, Cekić BĐ. Structural stability of some CsCl structure HfTM (TM = Co, Rh, Ru, Fe) compounds. in Intermetallics. 2006;14(12):1403-1410. doi:10.1016/j.intermet.2006.01.050 .
Novaković, Nikola, Ivanović, Nenad, Koteski, Vasil J., Radisavljević, Ivana, Belošević-Čavor, Jelena, Cekić, Božidar Đ., "Structural stability of some CsCl structure HfTM (TM = Co, Rh, Ru, Fe) compounds" in Intermetallics, 14, no. 12 (2006):1403-1410, https://doi.org/10.1016/j.intermet.2006.01.050 . .