Volume 61, Number 3, February 2003
|Page(s)||354 - 360|
|Section||Condensed matter: electronic structure, electrical, magnetic, and optical properties|
|Published online||01 January 2003|
Exploring dynamical magnetism with time-dependent density-functional theory: From spin fluctuations to Gilbert damping
Instituto de Química de São Carlos,
Departamento de Química e Física Molecular
Universidade de São Paulo - Caixa Postal 780,
13560-970 São Carlos, SP, Brazil
2 H. H. Wills Physics Laboratory, University of Bristol Tyndall Av., Bristol BS8 1TL, UK
Accepted: 13 November 2002
We use time-dependent spin-density-functional theory to study dynamical magnetic phenomena. First, we recall that the local-spin-density approximation (LSDA) fails to account correctly for magnetic fluctuations in the paramagnetic state of iron and other itinerant ferromagnets. Next, we construct a gradient-dependent density functional that does not suffer from this problem of the LSDA. This functional is then used to derive, for the first time, the phenomenological Gilbert equation of micromagnetics directly from time-dependent density-functional theory. Limitations and extensions of Gilbert damping are discussed on this basis, and some comparisons with phenomenological theories and experiments are made.
PACS: 71.15.Mb – Density functional theory, local density approximation, gradient and other corrections / 75.10.Lp – Magnetic properties and materials: band and itinerant models
© EDP Sciences, 2003
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