Orbital magnetism of transition-metal adatoms and clusters on the Ag and Au(001) surfaces

被引:55
作者
Cabria, I [1 ]
Nonas, B [1 ]
Zeller, R [1 ]
Dederichs, PH [1 ]
机构
[1] Forschungszentrum Julich, Inst Festkorperforsch, D-52425 Julich, Germany
来源
PHYSICAL REVIEW B | 2002年 / 65卷 / 05期
关键词
D O I
10.1103/PhysRevB.65.054414
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We present ab initio calculations of the orbital moments and magnetocrystalline anisotropy energies for 3d, 4d, and 5d transition-metal adatoms and for some selected small clusters on the (001) surfaces of Ag and Au. The calculations are based on the local density approximation of density functional theory and apply a fully relativistic Koringa-Kohn-Rostoker Green's function method. Due to the reduced coordination of the adatoms and the weak hybridization with the substrate, we find fairly large orbital moments, in particular for the elements towards the end of the series. The general trend can be understood from a simple tight-binding model. The orbital moments are connected with very large anisotropy energies. While the orbital moments are on the Ag substrate somewhat larger than on Au, the magnetic anisotropy has about the same size for both substrates. Calculations for small clusters of Fe, Ru, and Os adatoms show, that due to interaction effects the orbital moments are strongly reduced, e.g., by 50% for the dimer atoms. The size of the reduction correlates well with the coordination number. Similar reductions also occur for the magnetic anisotropy energies.
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页码:1 / 9
页数:9
相关论文
共 42 条
[1]   Success and failure of the Friedel-Anderson resonance model for magnetic impurities: 3d impurities on the surface of Au [J].
Beckmann, H ;
Bergmann, G .
PHYSICAL REVIEW B, 1996, 54 (01) :368-372
[2]   First observation of a fully magnetic 4d impurity on the surface of Au [J].
Beckmann, H ;
Schafer, R ;
Li, WQ ;
Bergmann, G .
EUROPHYSICS LETTERS, 1996, 33 (07) :563-568
[3]  
BECKMANN H, 1997, J LOW TEMP PHYS, V110, P1173
[4]   MAGNETIC-PROPERTIES OF 3D TRANSITION-METAL MONOLAYERS ON METAL SUBSTRATES [J].
BLUGEL, S ;
DRITTLER, B ;
ZELLER, R ;
DEDERICHS, PH .
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 1989, 49 (06) :547-562
[5]   2-DIMENSIONAL FERROMAGNETISM OF 3D, 4D, AND 5D TRANSITION-METAL MONOLAYERS ON NOBLE-METAL (001) SUBSTRATES [J].
BLUGEL, S .
PHYSICAL REVIEW LETTERS, 1992, 68 (06) :851-854
[6]   FERROMAGNETISM AND ANTIFERROMAGNETISM OF 3D METAL OVERLAYERS ON NOBLE-METAL SUBSTRATES [J].
BLUGEL, S ;
DEDERICHS, PH .
EUROPHYSICS LETTERS, 1989, 9 (06) :597-602
[7]   CALCULATED GROUND-STATE PROPERTIES OF LIGHT ACTINIDE METALS AND THEIR COMPOUNDS [J].
BROOKS, MSS .
PHYSICA B & C, 1985, 130 (1-3) :6-12
[8]   TIGHT-BINDING APPROACH TO THE ORBITAL MAGNETIC-MOMENT AND MAGNETOCRYSTALLINE ANISOTROPY OF TRANSITION-METAL MONOLAYERS [J].
BRUNO, P .
PHYSICAL REVIEW B, 1989, 39 (01) :865-868
[9]   FIRST-PRINCIPLES CALCULATION OF THE MAGNETIC ANISOTROPY ENERGY OF (CO)N/(X)M MULTILAYERS [J].
DAALDEROP, GHO ;
KELLY, PJ ;
SCHUURMANS, MFH .
PHYSICAL REVIEW B, 1990, 42 (11) :7270-7273
[10]   MAGNETOCRYSTALLINE ANISOTROPY AND ORBITAL MOMENTS IN TRANSITION-METAL COMPOUNDS [J].
DAALDEROP, GHO ;
KELLY, PJ ;
SCHUURMANS, MFH .
PHYSICAL REVIEW B, 1991, 44 (21) :12054-12057