LSDA+U approximation-based analysis of the electronic estructure of CeFeGe3

TL;DR

This paper uses LSDA+U approximation-based ab initio calculations to analyze the electronic structure of the intermetallic compound CeFeGe3, focusing on the effects of Hubbard correction within DFT.

Contribution

It applies the LSDA+U method with TB-LMTO-ASA to study CeFeGe3's electronic structure, providing insights into correlation effects in this compound.

Findings

Electronic structure characterized using LSDA+U

Hubbard correction impacts on electronic properties analyzed

Results contribute to understanding of CeFeGe3's electronic behavior

Abstract

We perform ab initio electronic structure calculations of the intermetallic compound CeFeGe3 by means of the Tight Binding Linear Muffin-Tin Orbitals-Atomic Sphere Approximation (TB-LMTO-ASA) within the Local Spin Density Approximation containing the so-called Hubbard correction term (LSDA+U^SIC), using the Sttutgart's TB (Tight Binding)-LMTO-ASA code in the framework of the Density Funcional Theory (DFT).