中国物理B ›› 2015, Vol. 24 ›› Issue (10): 103402-103402.doi: 10.1088/1674-1056/24/10/103402
• ATOMIC AND MOLECULAR PHYSICS • 上一篇 下一篇
黄天顺a, 成海霞b, 王晓旭b c, 张振峰d, 安志伟b, 张国华b
Huang Tian-Shun (黄天顺)a, Cheng Hai-Xia (成海霞)b, Wang Xiao-Xu (王晓旭)b c, Zhang Zhen-Feng (张振峰)d, An Zhi-Wei (安志伟)b, Zhang Guo-Hua (张国华)b
摘要: The site preferences of the rare earth intermetallics Nd6Fe13-xTxSi (T= Co, Ni) are investigated by using interatomic pair potentials which are converted from a lattice-inversion method. Calculation shows that the order of the site preference of Co is 4d, 16k, 16l1, and 16l2 and that of Ni is 16l2, 16l1, 16k, and 4d in Nd6Fe13-xTxSi. Calculated lattice and positional parameters are found to agree with those reported in the literature. Furthermore, the phonon density of states for Nd6Fe13-xTxSi is also evaluated, and a qualitative analysis featuring the coordination and the relevant potentials is carried out.
中图分类号: (Interatomic potentials and forces)