Ab initio study of structural, electronic, and thermal properties of Ir₁₋xRhx alloys

• Published in: Condensed Matter Physics
• Date: 2015
• Main Authors: Ahmed, Sh., Zafar, M., Shakil, M., Choudhary, M.A.
• Format: Article
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 2015
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/153447
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Ab initio study of structural, electronic, and thermal properties of Ir₁₋xRhx alloys / Sh. Ahmed, M. Zafar, M. Shakil, M.A. Choudhary // Condensed Matter Physics. — 2015. — Т. 18, № 2. — С. 23601: 1–12. — Бібліогр.: 62 назв. — англ.

The structural, electronic, mechanical and thermal properties of Ir₁₋xRhx alloys was studied systematically using ab initio density functional theory at different concentration (x = 0.00, 0.25, 0.50, 0.75, 1.00). The Special Quasirandom Structure method was used to make the alloys with FCC structure...