The electronic structure of the ferromagnetic material CeRh3B2 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 TC of CeRh3B2 and found a specific configuration of the electronic structure which explains the exceptionally high measured value of TC∼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 CeRh3B2 that brings about the exceptionally high TC should be also of technological relevance to exploit the utility of Ce in rare-earth permanent magnets.
@article{arxiv.1903.08480,
title = {Electronic Structure Calculations of CeRh$_{3}$B$_{2}$},
author = {Shotaro Doi and Munehisa Matsumoto},
journal= {arXiv preprint arXiv:1903.08480},
year = {2019}
}