Physical properties and superconductivity of Heusler compound LiGa2Rh: A first-principles calculation

Abstract

We have conducted ab initio pseudopotential calculations with and without spin orbit coupling on the physical properties of LiGa2Rh in order to explain the formation of superconductivity. Although the inclusion of spin orbit coupling lifts the degeneracies of electronic bands, its influence remains small near the Fermi level. The elastic calculations reveal that this Heusler superconductor is ductile. Phonon and electron-phonon interaction properties of LiGa2Rh are weakly influenced by the inclusion of spin orbit coupling. An analysis of electron-phonon interaction properties reveals that acoustic phonon branches are more involved in the process of scattering of electrons than optical phonon branches. From the Allen-Dynes modified McMillan formula, the value of superconducting transition temperature is obtained to be 2.68 K which is compatible with the recently reported experimental value of 2.4 K.