ELECTRONIC AND MAGNETIC-PROPERTIES OF MN/CU/MN AND MN/NI/MN SLABS

被引：14

作者：

FABRICIUS, G

LLOIS, AM

WEISSMANN, M

KHAN, MA

DREYSSE, H

机构：

[1] COMIS NACL ENERGIA ATOM, DEPT FIS, RA-1429 BUENOS AIRES, DF, ARGENTINA

[2] UNIV STRASBOURG 1, IPCMS, GEMME, F-67037 STRASBOURG, FRANCE

来源：

SURFACE SCIENCE | 1995年 / 331卷

关键词：

AB INITIO QUANTUM CHEMICAL METHODS AND CALCULATIONS; COPPER; LOW INDEX SINGLE CRYSTAL SURFACES; MAGNETIC INTERFACES; MAGNETIC SURFACES; MANGANESE; NICKEL;

D O I：

10.1016/0039-6028(95)00155-7

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In this paper we are interested in the magnetic properties of Mn/Cu/Mn and Mn/Ni/Mn slabs as a function of Mn coverage at T = 0 K. A tight-binding parametrized Hamiltonian with s, p and d orbitals is used and the appearance of spillover is accounted for by enlarging the local basis at the surface and vacancy sites. Large magnetic moments on the Mn atoms and competing ferro and antiferromagnetic configurations are obtained.

引用

页码：1377 / 1382

页数：6

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