Fe-Mn合金中ε-马氏体的电子结构和磁性特性

Electronic structure and magnetic property for ε-martensite in Fe-Mn alloy

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。

In the preseent paper, the electronic structure of epsilon martensite in disordered Fe-Mn alloy was calculated by the first-principles self-consistent charge discrete variational method(SCC-DV-Xα) in the spin polarized cluster case. the magnetic moment of martensite was obtained. Lattice constant plays an important role on the electronic structure, Fermi eneryg and partial density of states.