Finite-temperature magnetic properties of Sm2Fe17 Nx using an ab initio effective spin model

Shogo Yamashita, Daiki Suzuki, Takuya Yoshioka, Hiroki Tsuchiura, Pavel Novák

Research output: Contribution to journalArticlepeer-review

Abstract

In this study we investigate the finite-temperature magnetic properties of Sm2Fe17Nx (x=0,3) using an effective spin model constructed based on the information obtained by first-principles calculations. We find that assuming the plausible trivalent Sm3+ configuration results in a model that can satisfactorily describe the magnetization curves of Sm2Fe17N3. By contrast, the model based on the divalent Sm2+ configuration is suitable to reproduce the magnetization curves of Sm2Fe17. These results expand the understanding of how electronic structure affects the magnetic properties of these compounds.

Original languageEnglish
Article number214439
JournalPhysical Review B
Volume102
Issue number21
DOIs
Publication statusPublished - 2020 Dec 28

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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