Title of article
Lattice dynamics and thermal properties of CaxMg1−xS ternary alloys
Author/Authors
H. Choutri، نويسنده , , H. and Ghebouli، نويسنده , , M.A. and Bouarissa، نويسنده , , N.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2013
Pages
5
From page
148
To page
152
Abstract
We present results of ab initio calculations concerning lattice dynamical and thermal properties of MgS, CaS and their ternary mixed crystals CaxMg1−xS in zinc-blende structure. Results for the phonon modes, dielectric constants, Fröhlich coupling parameter, polaron effective mass, entropy and heat capacities are given for CaxMg1−xS within a composition range 0–1. Generally good agreement is obtained between our results and data available in the literature. Other case, our results are predictions.
Keywords
Polaron properties , lattice dynamics , Thermal Properties , CaxMg1?xS , Ab initio calculations
Journal title
Computational Materials Science
Serial Year
2013
Journal title
Computational Materials Science
Record number
1690391
Link To Document