Electrical Transport and Electronic Structure Calculation of Al-Ga Binary Alloys

The Harrison first principle pseudopotential technique based on the concept of orthogonalized plane waves has been used to study the liquid electrical resistivity and other physical properties viz., Knight shift, Fermi energy and electronic density of states of liquid binary alloys of simple metals. We have also performed a first-principles calculation of the electronic band structure of Al-Ga binary alloy at equiatomic composition employing the full-potential linearized augmented plane wave method. Total energy minimization enables us to estimate the equilibrium volume, bulk modulus and its pressure derivative. We have also described the total density of states and the partial density of states around the Fermi energy.