@article{29668c82c32f49918c0cf2d87ce285c9,
title = "Finite-temperature magnetic properties of Sm2Fe17 Nx using an ab initio effective spin model",
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.",
author = "Shogo Yamashita and Daiki Suzuki and Takuya Yoshioka and Hiroki Tsuchiura and Pavel Nov{\'a}k",
note = "Funding Information: This work was supported by the Elements Strategy Initiative Center for Magnetic Materials (ESICMM), Grant No. JPMXP0112101004, through the Ministry of Education, Culture, Sports, Science and Technology (MEXT). S.Y. acknowledges support from GP-Spin at Tohoku Universit, Japan. T.Y. was supported by JSPS KAKENHI Grant No. JP18K04678. The work of P.N. was supported by Project No. SOLID21. Part of the numerical computations were carried out at the Cyberscience Center, Tohoku University, Japan. Publisher Copyright: {\textcopyright} 2020 American Physical Society.",
year = "2020",
month = dec,
day = "28",
doi = "10.1103/PhysRevB.102.214439",
language = "English",
volume = "102",
journal = "Physical Review B",
issn = "2469-9950",
publisher = "American Physical Society",
number = "21",
}