# Electronic Structure Calculations of CeRh$_{3}$B$_{2}$

## TL;DR

This study uses first-principles calculations to analyze the electronic structure of CeRh₃B₂, explaining its high Curie temperature and magnetic properties, with implications for rare-earth magnet technology.

## Contribution

It provides a detailed electronic structure analysis of CeRh₃B₂, highlighting the role of 4f electrons in its magnetic behavior and estimating its Curie temperature from first principles.

## Key findings

- Estimated Curie temperature of ~120 K.
- Identified electronic configuration explaining high T_C.
- Linked 4f electron behavior to magnetic properties.

## Abstract

The electronic structure of the ferromagnetic material CeRh$_{3}$B$_{2}$ is studied by means of first-principles calculations with an emphasis on the treatment of localized $4f$ states around Ce. Via the construction of an effective spin model from electronic structure calculations, we estimated the Curie temperature $T_{\rm C}$ of CeRh$_{3}$B$_{2}$ and found a specific configuration of the electronic structure which explains the exceptionally high measured value of $T_{\rm C} \sim 120$ K as well as the small saturation magnetization and the topology of the Fermi surface. Present advance in the understanding of the subtle nature of the $4f$-electron state in CeRh$_{3}$B$_{2}$ that brings about the exceptionally high $T_{\rm C}$ should be also of technological relevance to exploit the utility of Ce in rare-earth permanent magnets.