【摘 要】
：
Based on density functional theory,using the scheme of the linearized augmented plane wave and the improved local orbital(APW+lo),this paper analyses and calcul
【机 构】
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School of Physical Science and Technology,Southwest Jiaotong University,Institute of Nuclear Physics
【出 处】
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Chinese Physics B
论文部分内容阅读
Based on density functional theory,using the scheme of the linearized augmented plane wave and the improved local orbital(APW+lo),this paper analyses and calculates the lattice parameters,formation energy and magnetism of the rare-earth permanent magnetic materials YFe_(12-x)Cr_x(x=0~5).The stabilization effect and the possible positions of the substituted atom Cr are analysed.Magnetic moments for the system and the atoms are obtained.
Based on density functional theory, using the scheme of the linearized augmented plane wave and the improved local orbital (APW + lo), this paper analyzes and calculates the lattice parameters, formation energy and magnetism of the rare-earth permanent magnetic materials YFe 12 -x) Cr_x (x = 0~5). The stabilization effect and the possible positions of the substituted atom Cr are analyzed. Magnetic moments for the system and the atoms are obtained.
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