Magnetic properties of MgCNi3-xFex by the first-principles study

被引：5
|
作者：
Zheng, XH
Xu, Y
Zeng, Z [1 ]
Baggio-Saltovitch, E
机构：
[1] Chinese Acad Sci, Inst Solid State Phys, Hefei 230031, Anhui, Peoples R China
[2] Ctr Brasileiro Pesquisas Fis, BR-22290180 Rio De Janeiro, Brazil
来源：
PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS | 2004年 / 408卷
关键词：
electronic structure; spin moment; distortion;
D O I：
10.1016/j.physc.2004.02.055
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
The first-principles electronic structure calculations are performed for the nonoxide perovskite MgCNi3-xFex compounds by FP-LAPW approach. A small local magnetic moment for Fe in MgCNi3-xFex is always obtained in the cases condsidered. The consequence on spin moment of a distorted structure (Pnma) as well as bond length variation is discussed. The spin moment of Fe decreases significantly when the bond length of Fe-C reduces 5%. (C) 2004 Elsevier B.V. All rights reserved.
引用
收藏
页码：154 / 156
页数：3
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