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

Materials Science 2019-03-21 v1

Abstract

The electronic structure of the ferromagnetic material CeRh3_{3}B2_{2} is studied by means of first-principles calculations with an emphasis on the treatment of localized 4f4f states around Ce. Via the construction of an effective spin model from electronic structure calculations, we estimated the Curie temperature TCT_{\rm C} of CeRh3_{3}B2_{2} and found a specific configuration of the electronic structure which explains the exceptionally high measured value of TC120T_{\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 4f4f-electron state in CeRh3_{3}B2_{2} that brings about the exceptionally high TCT_{\rm C} should be also of technological relevance to exploit the utility of Ce in rare-earth permanent magnets.

Keywords

Cite

@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}
}