Open AccessMagnetic properties of MnBi based alloys: First-principles calculations for MnBi-Co and MnBi-Co-Fe cases
Author(s) -
YangKi Hong,
Jihoon Park,
O. N. Mryasov,
SeongGon Kim,
Sungho Kim,
Jaejin Lee,
Gavin S. Abo,
Chul-Jin Choi,
Junggoo Lee
Publication year - 2013
Publication title -
aip advances
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.421
H-Index - 58
ISSN - 2158-3226
DOI - 10.1063/1.4809564
Subject(s) - condensed matter physics , materials science , anisotropy , density functional theory , magnetic anisotropy , curie temperature , saturation (graph theory) , anisotropy energy , magnetization , magnetocrystalline anisotropy , ferromagnetism , chemistry , physics , magnetic field , computational chemistry , mathematics , quantum mechanics , combinatorics
First-principles calculations of fundamental magnetic properties were performed for ordered MnBi, MnBi-Co, and MnBi-Co-Fe alloys to evaluate maximum energy product (BH)max. Full potential linear-augmented plane wave (FLAPW) and linear-muffin-tin-orbital (LMTO) calculations using density functional theory (DFT) within the local spin density approximation (LSDA) were used and found to give a reasonable description of saturation magnetization (Ms), effective anisotropy constant (Keff), and Curie temperature (Tc) for NiAs-structured MnBi crystal. We found that upon addition of Co, the Ms and Keff increased, while Tc reduced. The magnetic anisotropy changed from weak anisotropy easy plane for MnBi to the strong easy axis anisotropy for MnBi-Co and MnBi-Co-Fe
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