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Effect of Co Content on Magnetic Properties of Fe3Si Alloy
HE Xiaojin, ZHANG Jinmin, HUANG Jin, LU Shunshun, HE Fan, WU Hongxian, SHAO Peng, XIE Quan
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS
2016, 33 (6):
743-748.
Magnetic properties of transition metal Co doped Fe3Si alloy are studied with first-principles pseudo-potential plane wave method based on density functional theory (DFT). It shows that magnetism of Fe3-xCoxSi mainly results from transition metal elements Fe and Co. Strong-magnetism of FeB atom is revealed compared with weak-magnetism of A- and C-site atom. Total magnetic of Fe3-xCoxSi decreases slowly in 0≤x≤0.75, but increases rapidly in 0.75≤x≤1.5. FeA,C moment shows similar trend. Magnetic moment of Co atoms increases slowly as Co content increases. Change of atomic magnetic moment is related to charge transfer of spin up and down direction.
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