Electronic Structure and Magnetocrystalline Anisotropy Energy of MnAl
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概要
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The spin-polarized band calculations including spin-orbit interaction for T-phase (L1_0) MnAl have been performed with LMTO-ASA method in the frame of LSD. It has been predicted that the MnAl has a magnetic moment of 2.4 μ_B with a help of the tetragonal distortion from cubic B2 to L1_0 structure. The magnetocrystalline anisotropy energy (MAE) is obtained as (0.26±0.01) meV/f. u. This leads to 1.5×10^6 J/m^3 for magnetic anisotropy constant which is comparable to the measured value〜10^6 J/m^3. The dependence of the MAE on axial ratio c/a also reflects the influence of the tetragonal distortion, that is, the MAE shows drastic change from negative to positive at the vicinity of c/a=0.7071 which corresponds to cubic B2 lattice. For larger value of c/a, MAE decreases with increasing c/a and goes into negative again for c/a>1.2.
- 1994-04-15
著者
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Sakuma A
Hitachi Metals Ltd. Saitama
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Sakuma Akimasa
Magnetic & Electronic Materials Research Laboratory Hitachi Metal Ltd
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Sakuma Akimasa
Advanced Electronics Research Laboratory Hitachi Metals Ltd.
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