Electronic transport, density of states and ground state properties of Li- In binary alloy

Abstract

The electronic transport properties of Li-In binary alloy have been studied by Harrison's first principle pseudopotential technique. The Percus-Yevik hard sphere model is used to compute the partial structure factors Sij/(k) for the alloy at the desired composition. We have also calculated the ground state properties of Li-In alloy employing full-potential linearized augmented plane wave (FLAPW) method. The equilibrium values of bulk modulus and its pressure derivative have been estimated through optimization of the crystal structure of the Li-In alloy. The calculated total density of states (DOS) and the partial DOS around the Fermi energy are used to explain the variation of resistivity of the alloy with carrier concentration.