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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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Principais autores: R. Yang, C. Zhu, Q. Wei, K. Xiao, Z. Du
Format: Artigo
Sprog:Inglês
Udgivet: Yukhnovskii Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine 2017-12-01
Serier:Condensed Matter Physics
Fag:
TiN
optical properties
elastic anisotropy
thermodynamic properties
first-principles
Online adgang:https://doi.org/10.5488/CMP.20.23601
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