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

被引：82
|
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
来源：
PHYSICAL REVIEW LETTERS | 2001年 / 87卷 / 20期
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
下载
收藏
页码：206403 / 1
页数：4
相关论文
共 50 条
  • [1] Derivative discontinuities in time-dependent density-functional theory -: art. no. 203004
    Mundt, M
    Kümmel, S
    PHYSICAL REVIEW LETTERS, 2005, 95 (20)
  • [2] Spin virial theorem in the time-dependent density-functional theory
    Nagy, A
    PHYSICAL REVIEW A, 2003, 68 (04)
  • [3] Time-dependent density-functional theory for open spin chains
    de Falco, Diego
    Tamascelli, Dario
    PHYSICAL REVIEW A, 2012, 85 (02):
  • [4] N-representability and stationarity in time-dependent density-functional theory -: art. no. 032515
    Cohen, MH
    Wasserman, A
    PHYSICAL REVIEW A, 2005, 71 (03)
  • [5] Spin dynamics from time-dependent spin-density-functional theory
    Qian, ZX
    Vignale, G
    PHYSICAL REVIEW LETTERS, 2002, 88 (05) : 4
  • [6] Time-dependent density-functional theory calculations of triplet-triplet absorption -: art. no. 224104
    Cronstrand, P
    Rinkevicius, Z
    Luo, Y
    Ågren, H
    JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (22):
  • [7] Time-dependent density-functional spin dynamics and its application for Fe and Ni
    Antropov, V
    JOURNAL OF APPLIED PHYSICS, 2005, 97 (10)
  • [8] Spin dynamics from time-dependent density functional perturbation theory
    Tommaso Gorni
    Iurii Timrov
    Stefano Baroni
    The European Physical Journal B, 2018, 91
  • [9] Spin dynamics from time-dependent density functional perturbation theory
    Gorni, Tommaso
    Timrov, Iurii
    Baroni, Stefano
    EUROPEAN PHYSICAL JOURNAL B, 2018, 91 (10):
  • [10] Time-dependent density-functional theory
    Rubio, Angel
    Marques, Miguel
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2009, 11 (22) : 4436 - 4436
12345