Pressure dependence of elastic and dynamical properties of zinc-blende ZnS and ZnSe from first principle calculation

• Veröffentlicht in: Condensed Matter Physics
• Datum: 2012
• Hauptverfasser: Wang, H.Y., Cao, J.Y., Huang, X.Y., Huang, J.M.
• Format: Artikel
• Sprache: English
• Veröffentlicht: Інститут фізики конденсованих систем НАН України 2012
• Online Zugang: https://nasplib.isofts.kiev.ua/handle/123456789/120170
• Назва журналу: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Zitieren: Pressure dependence of elastic and dynamical properties of zinc-blende ZnS and ZnSe from first principle calculation / H.Y. Wang, J.Y. Cao, X.Y. Huang, J.M. Huang // Condensed Matter Physics. — 2012. — Т. 15, № 1. — С. 13705: 1-10. — Бібліогр.: 31 назв. — англ.

The density-functional theory (DFT) and density-functional perturbation theory (DFPT) are employed to study the pressure dependence of elastic and dynamical properties of zinc-blende ZnS and ZnSe. The calculated elastic constants and phonon spectra from 0GPa to 15GPa are compared with the available...