Spin currents and spin dynamics in time-dependent density-functional theory
材料科学
2009-11-07 v3 介观与纳米尺度物理
摘要
We derive and analyse the equation of motion for the spin degrees of freedom within time-dependent spin-density-functional theory (TD-SDFT). 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-SDFT, (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
@article{arxiv.cond-mat/0106021,
title = {Spin currents and spin dynamics in time-dependent density-functional theory},
author = {K. Capelle and G. Vignale and B. L. Gyorffy},
journal= {arXiv preprint arXiv:cond-mat/0106021},
year = {2009}
}
备注
now includes discussion of OEP and GGA; to appear in Phys. Rev. Lett