Elastic and electronic properties of fluorite RuO₂ from first principle

• Veröffentlicht in: Condensed Matter Physics
• Datum: 2012
• Hauptverfasser: Yang, Z.J., Guo, A.M., Guo, Y.D., Li, J., Wang, Z., Liu, Q., Linghu, R.F., Yang, X.D.
• Format: Artikel
• Sprache: Englisch
• Veröffentlicht: Інститут фізики конденсованих систем НАН України 2012
• Online Zugang: https://nasplib.isofts.kiev.ua/handle/123456789/120153
• Назва журналу: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Zitieren: Elastic and electronic properties of fluorite RuO₂ from first principle / Z.J. Yang, A.M. Guo, Y.D. Guo, J. Li, Z. Wang, Q. Liu, R.F. Linghu, X.D. Yang // Condensed Matter Physics. — 2012. — Т. 15, № 1. — С. 13603: 1-9. — Бібліогр.: 34 назв. — англ.

The elastic, thermodynamic, and electronic properties of fluorite RuO₂ under high pressure are investigated by plane-wave pseudopotential density functional theory. The optimized lattice parameters, elastic constants, bulk modulus, and shear modulus are consistent with other theoretical values. The...