Dirac-like band structure of LaTESb2 (TE = Ni, Cu, and Pd) superconductors by DFT calculations

Abstract

Electronic structures of LaNiSb2, LaCuSb2, and LaPdSb2 compounds are studied with the fully relativistic density functional theory methods. The detailed analysis of the densities of states, band structures, and Fermi surfaces allows an explanation of some intriguing transport properties of these materials. The calculated Sommerfeld coefficients are in good agreement with the experimental data, although the values of electron-phonon coupling estimated here are relatively low. All studied compounds exhibit Dirac-like bands in the vicinity of the Fermi level and two-dimensional character of some Fermi surface sheets.