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

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.