STRUCTURAL, ELECTRONIC AND MAGNETIC-PROPERTIES OF CO/PD(111) AND CO/PT(111)

被引：103

作者：

WU, RQ ^{[1
]}

LI, C ^{[1
]}

FREEMAN, AJ ^{[1
]}

机构：

[1] ARGONNE NATL LAB, DIV MAT SCI, ARGONNE, IL 60439 USA

来源：

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | 1991年 / 99卷 / 1-3期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/0304-8853(91)90048-F

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The structural, electronic and magnetic (including magnetic anisotropy) properties of the Co/Pd(111) and Co/Pt(111) systems were investigated using the local density total energy full potential linearized augmented plane wave (FLAPW) method. Structurally, the pseudomorphic Co overlayer occupies the fcc sites on the substrates, with a 5-6% contraction of nearest Co-Pd and Co-Pt distances. As results of a second variation magnetic anisotropy calculation, Co/Pt(111) shows strong perpendicular spin orientation (with an anisotropy energy approximately 4.5 X 10(-4) eV/adatom). Strong covalent overlayer/substrate bonding results in large adsorption energies of 2.2-2.5 eV/adatom. Unlike other magnetic/nonmagnetic adsorption systems, Co atoms retain (or even enhance) their local magnetic moment as in the free-standing Co monolayer. The Co overlayer induces a long-range (beyond 3 atomic layers) spin polarization in Pd(111), but a relatively shorter-range disturbance in Pt(111).

引用

页码：71 / 80

页数：10