期刊论文

Qi, S.-R.

中文

物理学报

1000-3290

1996

45

8

1396-1401

本校为第一且通讯机构

简要介绍了线性Muffin-tin轨道（LMTO）方法,并对NdFe10Mo2以及掺N原子后材料的电子结构作了计算,从而得到态密度的变化,求出了对应的磁矩;分析了掺N原子后磁矩变化的机理;并将其结果与M（?）ssbauer谱的数据作了比较;指出了填隙N原子后,8j位磁矩有最小值.

In this paper, LMTO method is described briefly. We applied it to calculate the electronic structure of NdFe10Mo2 with interstitial N atom which is related to the tetragonal ThMn12 structure. From the variation of density of states we can obtained the magnetic moment. The function about variation of magnetic moment after nitration is discussed and campared with calculated local magnetic moment. In NdFe10Mo2 compounds with interstitial N ...