Computational study of structural and electronic property of the predicted compound-Os2TiBi

S. Krishnaveni, M. Sundareswar

Abstract

The nature of chemical bonding between the atoms in the compound Os2TiBi is studied by applying the Wien2k code – A Full Potential Linear Augmented Plane Wave Method. The electron density plots, Density of States histograms and band structure are plotted for the compound Os2TiBi. From this study we report that Os2TiBi exhibits metallic nature and there exists bonding between Os and Bi. It is of nonmagnetic type.