First principles study on electronic structure and elastic properties of LaCd and LaHg

Abstract

Full -potential linearized augmented plane wave method (FP- LAPW) has been used for the comparative study of electronic structure and elastic properties of CsCl-type LaCd and LaHg intermetallic compounds using generalized gradient approximation (GGA). The density of states at the Fermi Level, N (EF), is found to be 0.06 and 3.03 states/eV for LaCd and LaHg respectively. We report elastic constants for these compounds for the first time. The ductility/brittleness of these compounds has been analyzed using Pugh rule and Cauchy’s pressure.