First-principles calculation of the structural and magnetic properties of Fe/Au and Cr/Au monatomic multilayers

被引：15
作者：
Wang, JT
Li, ZQ
Kawazoe, Y
机构：
[1] Institute for Materials Research, Tohoku University
来源：
JOURNAL OF PHYSICS-CONDENSED MATTER | 1997年 / 9卷 / 22期
关键词：
D O I：
10.1088/0953-8984/9/22/007
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The structural and magnetic properties of Fe/Au and Cr/Au monatomic multilayers with the tetragonal L1(0) ordered structure in paramagnetic, ferromagnetic, and antiferromagnetic states are studied by means of the self-consistent full-potential linearized augmented-plane-wave method. It is found that the L1(0) ordered Fe/Au monatomic multilayer has a ferromagnetic ground state with an enhanced moment of 2.76 mu(B) of Fe. On the other hand, the L1(0) ordered Cr/Au monatomic multilayer has an antiferromagnetic ground state with a large local moment 3.18 mu(B) of Cr. By total energy minimization, the lattice constants for their ground states are determined.
引用
收藏
页码：4549 / 4556
页数：8
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