From the bulk to monatomic wires:: An ab initio study of magnetism in Co systems with various dimensionality -: art. no. 140407

被引:57
作者
Komelj, M [1 ]
Ederer, C
Davenport, JW
Fähnle, M
机构
[1] Brookhaven Natl Lab, Ctr Data Intens Comp, Upton, NY 11973 USA
[2] Jozef Stefan Inst, SI-1000 Ljubljana, Slovenia
[3] Max Planck Inst Met Res, D-70569 Stuttgart, Germany
关键词
D O I
10.1103/PhysRevB.66.140407
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
A systematic ab initio study within the framework of the local-spin-density approximation including spin-orbit coupling and an orbital-polarization term is performed for the spin and orbital moments and for the x-ray magnetic circular dichroism (XMCD) spectra in hcp Co, in a Pt supported and a free standing Co monolayer, and in a Pt supported and a free standing monatomic Co wire. When including the orbital-polarization term, the orbital moments increase drastically when going to lower dimensionality, and there is an increasing asymmetry between the L-2 and L-3 XMCD signals. It is shown that spin and orbital moments can be obtained with good accuracy from the XMCD spectra via the sum rules. The <T-z> term of the spin sum rule is surprisingly small for the wires, and the reason for this is discussed.
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页码:1 / 4
页数:4
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