Effect of element doping and substitution on the electronic structure and macroscopic magnetic properties of SmFe.sub.12./sub. -based compounds

0555087 - FZÚ 2023 RIV US eng J - Journal Article
Yoshioka, T. - Tsuchiura, H. - Novák, Pavel
Effect of element doping and substitution on the electronic structure and macroscopic magnetic properties of SmFe₁₂ -based compounds.
Physical Review B. Roč. 105, č. 1 (2022), č. článku 014402. ISSN 2469-9950. E-ISSN 2469-9969
R&D Projects: GA MŠMT(CZ) EF16_019/0000760
Grant - others:OP VVV - SOLID21(XE) CZ.02.1.01/0.0/0.0/16_019/0000760
Institutional support: RVO:68378271
Keywords : magnetic anisotropy * ferromagnetism * exchange interaction * crystal-field theory * density functional theory * first principles calculations
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.7, year: 2022
Method of publishing: Limited access
https://doi.org/10.1103/PhysRevB.105.014402

The mechanisms underlying the enhancement of magnetic anisotropies (MAs) of Sm ions, owing to valence electrons at the Sm site are clarified using a detailed analysis of crystal fields (CF). In order to investigate the finite-temperature magnetic properties, we developed an effective spin model for SmFe12X (X=H, B, C, and N) and SmFe11M (M=Ti, V, and Co), where the magnetic moments, CF parameters, and exchange fields were determined by first-principle calculations. Using this model, the MA constants and magnetization curves at finite temperatures were investigated using a recently introduced analytical method [Yoshioka, Tsuchiura, and Novák, Phys. Rev. B 102, 184410 (2020)].The calculated temperature dependence of K1(T) and K2(T) in SmFe11Co qualitatively reproduces the experimental results.
Permanent Link: http://hdl.handle.net/11104/0330541