Structure and magnetism of FCC-Fe films on Cu(100)

被引：15
|
作者：
Moroni, EG
Kresse, G
Hafner, J
机构：
[1] Vienna Univ Technol, Inst Theoret Phys, A-1040 Vienna, Austria
[2] Ctr Computat Mat Sci, A-1060 Vienna, Austria
来源：
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | 1999年 / 198-99卷
关键词：
coherent epitaxy; Cu(001) substrates; Fe films;
D O I：
10.1016/S0304-8853(98)01224-4
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The atomic and magnetic structure of FCC-Fe layers on a Cu(1 0 0) substrate is investigated by ab initio calculations as a function of the thickness of the film. Fe films with a thickness varying between 1 and 3 ML stabilize a ferromagnetic (FM) ground state. For thicker films with an even number of Fe layers (4, 6 and 8 ML) a bilayer AF magnetic structure develops, while for an odd number of Fe layers (5, 7 and 9 ML) various spin structures coexist. The magnetic properties of Fe thin layers are compared to those of bulk FCC-Fe biaxially strained to the lattice constant of the Cu substrate and the dependence of magnetic energies in the form of the exchange-correlation functional is discussed. (C) 1999 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：551 / 554
页数：4
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