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利用原子簇模型和自旋极化离散变分法 (DV Xα) ,对Fe -Mn合金中ε -马氏体的电子结构和自旋磁矩进行了计算 ,结果与实验相符 ;并讨论了原子间距对磁矩、局域态密度和Fermi能级的影响。
The electronic structure and spin magnetic moment of ε-martensite in Fe-Mn alloy were calculated by atomic cluster model and spin-polarized discrete variational method (DV Xα). The results are consistent with the experimental results. Effect of Pitch on Magnetic Moment, Local Density and Fermi Level.