Electronic Transport and Ground State Properties of Li-Mg Binary Alloy

Abstract

The electronic transport properties of Li-Mg 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 alloys at the desired composition. We have also performed the electronic band structure calculation of Li-Mg alloy employing the full-potential linearized augmented plane wave (FLAPW) method. Total energy minimization enables us to estimate the equilibrium volume, the bulk modulus and its pressure derivative. The calculated total density of states (DOS) and the partial DOS around the Fermi energy are used to explain the variation of the resistivity of the alloy with carrier concentration.