First principles study on the structural properties and electronic structure of X2B (XÂ =Â Cr, Mn, Fe, Co, Ni, Mo and W) compounds
Keywords: اولین محاسبات اصلی; 71.15.Nc; 71.20.Ps; 75.47.Pq; First principle calculations; Electronic structure of bulk materials; Transition metals and alloys; Mechanical properties;