First-principles study of optical, elastic anisotropic and thermodynamic properties of TiN under high temperature and high pressure

The optical, elastic anisotropic and thermodynamic properties of TiN in the NaCl (B1) structure are analyzed in detail in the temperature range from 0 to 2000 K and the pressure range from 0 to 20 GPa. From the calculated dielectric constants, a first order isostructural phase transition between 29...

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Main Authors: R. Yang, C. Zhu, Q. Wei, K. Xiao, Z. Du
Formato: Artigo
Idioma:Inglês
Publicado: Yukhnovskii Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine 2017-12-01
Series:Condensed Matter Physics
Assuntos:
TiN
optical properties
elastic anisotropy
thermodynamic properties
first-principles
Acceso en liña:https://doi.org/10.5488/CMP.20.23601
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