Title :
The Structure and Magnetic Moment Study of Fe–Si–Al by First-Principles Calculation
Author :
Yin Cui ; Gang Li ; Nan Zhang ; Xin Wang ; Jiangliang Xie ; Longjiang Deng
Author_Institution :
Nat. Eng. Res. Center of Electromagn. Radiat. Control Mater., Univ. of Electron. Sci. & Technol. of China, Chengdu, China
Abstract :
In general, the contribution to the reinforcement of the magnetism in the order-disorder transition of FeAl alloys depends on their Fe content and the order-disorder transition. However, the Fe75Si15Al10 alloys were investigated by means of first-principles calculation and experimental verification. We found that the mechanism of the magnetic moment (μm) reinforcement is the exchange interaction of Fe atom with its nearest neighbor Fe atoms. In addition, the exchange interaction of Fe-Fe atoms is affected by internal stress, lattice distortion, the Fe content, and the position of nearest neighbor nonferrous atoms (Si and Al atoms). At the annealing temperature of 600 °C , the μm is the maximum value, as the ordered DO3 structure is transformed extremely.
Keywords :
ab initio calculations; aluminium alloys; annealing; exchange interactions (electron); internal stresses; iron alloys; magnetic moments; order-disorder transformations; silicon alloys; Fe75Si15Al10; annealing temperature; exchange interaction; first-principles calculation; internal stress; lattice distortion; magnetic moment; magnetism reinforcement; nearest neighbor nonferrous atoms; order-disorder transition; ordered DO3 structure; structural properties; temperature 600 degC; Annealing; Iron; Magnetic moments; Magnetomechanical effects; Saturation magnetization; Silicon; Exchange interaction; First-principles calculation; Sendust alloy; exchange interaction; first-principles calculation; magnetic moment ( $mu _{m}$ ); magnetic moment (μm); sendust alloy;
Journal_Title :
Magnetics, IEEE Transactions on
DOI :
10.1109/TMAG.2015.2434940
