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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 have been performed so as to investigate elastic, lattice dynamical and thermal properties of zinc-blende CdSexTe1−x ternary alloys. The composition dependence of the elastic constants and phonon frequencies has...
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....
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