Spin currents and spin dynamics in time-dependent density-functional theory -: art. no. 206403

被引:89
作者
Capelle, K
Vignale, G
Györffy, BL
机构
[1] Univ Sao Paulo, Inst Quim Sao Carlos, Dept Quim & Fis Mol, BR-13560970 Sao Carlos, SP, Brazil
[2] Univ Missouri, Dept Phys & Astron, Columbia, MO 65211 USA
[3] Univ Bristol, HH Wills Phys Lab, Bristol BS8 1TL, Avon, England
基金
美国国家科学基金会;
关键词
D O I
10.1103/PhysRevLett.87.206403
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We derive and analyze the equation of motion for the spin degrees of freedom within time-dependent spin-density-functional theory (TD-SDFT). The results are (i) a prescription for obtaining many-body corrections to the single-particle spin currents from the Kohn-Sham equation of TD-SDFT, (ii) the existence of an exchange-correlation (xc) torque within TD-SDFr, (iii) a prescription for calculating, from TD-SDFT, the torque exerted by spin currents on the spin magnetization, (iv) a novel exact constraint on approximate. xc functionals, and (v) the discovery of serious deficiencies of popular approximations to TD-SDFT when applied to spin dynamics.
引用
收藏
页码:206403 / 1
页数:4
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