Relativistic effects in HgTe and CdTe electronic structures

In this work, we present the electronic structure of Cadmiun Telluride (CdTe) and Mercury Teluride (HgTe), obtained using the local spin density approximation, including the Hubbard correction (LSDA+U), in the density functional theory (DFT), considering non  relativistic, relativistic, and relativistic with spin-orbit coupling effects for each alloy. The results show that relativistic effects reduce the band gap for both alloys, and inverted band ordering for HgTe is only possibe if spin-orbit copupling is considered.