Elastic modulus and thermal properties of InN in the rocksalt phase AITranslate

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DOI：https://doi.org/10.1016/j.commatsci.2013.08.045

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Highlights • Elastic modulus of rocksalt InN. • Lattice dynamics of InN in the rocksalt phase. • Thermodynamic properties of rocksalt InN. • Study on pressure and temperature effects on fundamental properties of rocksalt InN. Elastic constants, vibration modes and thermodynamic properties of InN in the rocksalt phase are presented by means of ab initio calculations in the framework of plane-wave pseudopotential implementation of the density functional theory with the local density approximation and response-function calculations. The pressure dependence of the elastic constants and phonon frequencies was investigated. Moreover, the influence of temperature on the entropy and heat capacity is also discussed. The computed values are in good agreement with the data available in the literature.