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
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
收藏
页码:71 / 80
页数:10
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