The structural, mechanical, electronic, optical and thermodynamic properties of t-X₃As₄ (X = Si, Ge and Sn) by first-principles calculations

• Published in: Condensed Matter Physics
• Date: 2018
• Main Authors: Yang, R., Ma, Y., Wei, Q., Zhang, D., Zhou, Y.
• Format: Article
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 2018
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/157453
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: The structural, mechanical, electronic, optical and thermodynamic properties of t-X₃As₄ (X = Si, Ge and Sn) by first-principles calculations / R. Yang, Y. Ma, Q. Wei, D. Zhang, Y. Zhou // Condensed Matter Physics. — 2018. — Т. 21, № 4. — С. 43601: 1–14. — Бібліогр.: 20 назв. — англ.

The structural, mechanical, electronic, optical and thermodynamic properties of the t-X₃As₄ (X = Si, Ge and Sn) with tetragonal structure have been investigated by first principles calculations. Our calculated results show that these compounds are mechanically and dynamically stable. By the study...