Electronic Structure Studies of CeAgSb2

TL;DR

This study uses advanced density functional theory calculations to analyze the electronic band structure of CeAgSb2, considering spin-orbit coupling and Coulomb interactions to accurately determine its ground state.

Contribution

It provides a detailed electronic structure analysis of CeAgSb2 incorporating spin-orbit and Coulomb effects, which was not comprehensively done before.

Findings

Electronic band structure calculated with spin-orbit interaction.

On-site Coulomb potential effects on 4f orbitals analyzed.

Ground state of CeAgSb2 accurately determined.

Abstract

The electronic band structure of CeAgSb$_{2}$ has been calculated using the self-consistent full potential nonorthogonal local orbital minimum basis scheme based on the density functional theory. We investigated the electronic structure with the spin-orbit interaction and on-site Coulomb potential for the Ce-derived 4f orbitals to obtain the correctly ground state of CeAgSb$_{2}$.