Ab initio study of structural, mechanical and electronic properties of 3d transitional metal carbide in cubic rocksalt (rs), zincblende (zb), and cesium chloride (cc) structures by using LDA and GGA Approximation

Abstract

Ab initio study of stru ctural, mechanical a n d electronic prop erties of 3d transitional metal carbide in cubic rocksalt (rs) , zincblende (zb) , a n d cesium chloride (cc) structures by using LDA a n d GGA Approximation