Authors: Moulay Hadj Ahmed Mazouz Amina Aiche Doumi Bendouma Abdelkader Tadjer
Publish Date: 2017/02/21
Volume: 30, Issue: 8, Pages: 2091-2097
Abstract
We have performed firstprinciples calculations to investigate the structural electronic magnetic lattice dynamics and thermodynamic properties of ferromagnetic alkaline earth metal nitrides CaN SrN and BaN in the rocksalt structure using the planewave pseudopotential approach to the density functional theory within local density and generalized gradient approximations for the exchange and correlation potential The linear response to the density functional theory allowed us to calculate the phonon dispersion spectra for these compounds We reported also the results on thermodynamic properties as a function of temperature calculated by using the quasiharmonic approximation
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