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Ab initio calculations of the stability of disordered Ti-V-Cr solid solutions and their hydrides. / Shelyapina, M. G.; Kasperovich, V. S.; Skryabina, N. E.; Fruchart, D.

в: Physics of the Solid State, Том 49, № 3, 03.2007, стр. 399-402.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Shelyapina, MG, Kasperovich, VS, Skryabina, NE & Fruchart, D 2007, 'Ab initio calculations of the stability of disordered Ti-V-Cr solid solutions and their hydrides', Physics of the Solid State, Том. 49, № 3, стр. 399-402. https://doi.org/10.1134/S1063783407030018

APA

Shelyapina, M. G., Kasperovich, V. S., Skryabina, N. E., & Fruchart, D. (2007). Ab initio calculations of the stability of disordered Ti-V-Cr solid solutions and their hydrides. Physics of the Solid State, 49(3), 399-402. https://doi.org/10.1134/S1063783407030018

Vancouver

Shelyapina MG, Kasperovich VS, Skryabina NE, Fruchart D. Ab initio calculations of the stability of disordered Ti-V-Cr solid solutions and their hydrides. Physics of the Solid State. 2007 Март;49(3):399-402. https://doi.org/10.1134/S1063783407030018

Author

Shelyapina, M. G. ; Kasperovich, V. S. ; Skryabina, N. E. ; Fruchart, D. / Ab initio calculations of the stability of disordered Ti-V-Cr solid solutions and their hydrides. в: Physics of the Solid State. 2007 ; Том 49, № 3. стр. 399-402.

BibTeX

@article{3c70eb09b7e643dcb8174cc2bb3498a6,
title = "Ab initio calculations of the stability of disordered Ti-V-Cr solid solutions and their hydrides",
abstract = "The electronic structure of Ti-V-Cr alloys is calculated using the Korringa-Kohn-Rostoker method in the coherent potential approximation. The phase stability of the alloys is investigated as a function of the stoichiometry, the composition, and the hydrogen concentration. The results obtained are in good agreement with the available experimental data and provide an adequate description of the transition from the A2 phase to the A1 phase upon saturation of the alloys with hydrogen. For hydrogen-saturated hydrides with a high chromium concentration, the calculations predict magnetic polarization at chromium atoms with a magnetic moment of up to 2μB.",
author = "Shelyapina, {M. G.} and Kasperovich, {V. S.} and Skryabina, {N. E.} and D. Fruchart",
year = "2007",
month = mar,
doi = "10.1134/S1063783407030018",
language = "English",
volume = "49",
pages = "399--402",
journal = "Physics of the Solid State",
issn = "1063-7834",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "3",

}

RIS

TY - JOUR

T1 - Ab initio calculations of the stability of disordered Ti-V-Cr solid solutions and their hydrides

AU - Shelyapina, M. G.

AU - Kasperovich, V. S.

AU - Skryabina, N. E.

AU - Fruchart, D.

PY - 2007/3

Y1 - 2007/3

N2 - The electronic structure of Ti-V-Cr alloys is calculated using the Korringa-Kohn-Rostoker method in the coherent potential approximation. The phase stability of the alloys is investigated as a function of the stoichiometry, the composition, and the hydrogen concentration. The results obtained are in good agreement with the available experimental data and provide an adequate description of the transition from the A2 phase to the A1 phase upon saturation of the alloys with hydrogen. For hydrogen-saturated hydrides with a high chromium concentration, the calculations predict magnetic polarization at chromium atoms with a magnetic moment of up to 2μB.

AB - The electronic structure of Ti-V-Cr alloys is calculated using the Korringa-Kohn-Rostoker method in the coherent potential approximation. The phase stability of the alloys is investigated as a function of the stoichiometry, the composition, and the hydrogen concentration. The results obtained are in good agreement with the available experimental data and provide an adequate description of the transition from the A2 phase to the A1 phase upon saturation of the alloys with hydrogen. For hydrogen-saturated hydrides with a high chromium concentration, the calculations predict magnetic polarization at chromium atoms with a magnetic moment of up to 2μB.

UR - http://www.scopus.com/inward/record.url?scp=33947372564&partnerID=8YFLogxK

U2 - 10.1134/S1063783407030018

DO - 10.1134/S1063783407030018

M3 - Article

AN - SCOPUS:33947372564

VL - 49

SP - 399

EP - 402

JO - Physics of the Solid State

JF - Physics of the Solid State

SN - 1063-7834

IS - 3

ER -

ID: 16796488