Electronic structure and the Fermi surface of UTGa_{5} (T=Fe, Co, Rh)

TL;DR

This study uses relativistic energy-band calculations to explore the electronic structures and Fermi surfaces of UTGa_{5} compounds with T=Fe, Co, Rh, revealing hybridization effects and differences in Fermi surface topology.

Contribution

It provides the first detailed relativistic band structure analysis of UTGa_{5} compounds assuming itinerant 5f-electrons, highlighting hybridization and Fermi surface characteristics.

Findings

UCoGa_{5} and URhGa_{5} have similar small, closed Fermi surfaces.

UFeGa_{5} exhibits a quasi-two-dimensional Fermi surface.

Hybridization occurs between U 5f and Ga 4p states near the Fermi level.

Abstract

The relativistic energy-band calculations have been carried out for UFeGa_{5}, UCoGa_{5} and URhGa_{5} under the assumption that 5f-electrons are itinerant. A hybridization between the U 5f state and Ga 4p state occurs in the vicinity of the Fermi level. The Fermi surface of UCoGa_{5} is quite similar to that of URhGa_{5}, which are all small in size and closed in topology. UFeGa_{5} has the quasi-two-dimensional Fermi surface which looks like a lattice structure.