Strongly enhanced orbital moments and anisotropies of adatoms on the Ag(001) surface

被引:85
作者
Nonas, B [1 ]
Cabria, I
Zeller, R
Dederichs, PH
Huhne, T
Ebert, H
机构
[1] Forschungszentrum Julich, Inst Festkorperforsch, D-52425 Julich, Germany
[2] Univ Munich, Inst Phys Chem, D-81377 Munich, Germany
关键词
D O I
10.1103/PhysRevLett.86.2146
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We present ob initio calculations for orbital moments and anisotropy energies of 3d and 5d adatoms on the Ag(001) surface, based on density functional theory, including Brooks' orbital polarization (OP) term, and applying a fully relativistic Korringa-Kohn-Rostoker-Green's function method. In general, we find unusually large orbital moments and anisotropy energies, e.g., in the 3d series. 2.57 mu (B) and +74 meV for Co, and, in the 5d series, 1.78 mu (B) and +42 meV for Os. These magnetic properties are determined mainly by the OP and even exist without spin-orbit coupling.
引用
收藏
页码:2146 / 2149
页数:4
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