Issue |
Europhys. Lett.
Volume 40, Number 5, December I 1997
|
|
---|---|---|
Page(s) | 545 - 550 | |
Section | Condensed matter: electronic structure, electrical, magnetic and optical properties | |
DOI | https://doi.org/10.1209/epl/i1997-00502-1 | |
Published online | 01 September 2002 |
Current density functional theory of spontaneously magnetised solids
1
Institute for Physical Chemistry,
University of Munich Theresienstr. 37,
D-80333 München, Germany
2
Institute for Theoretical Physics,
University of Würzburg Am Hubland, D-97074 Würzburg
Received:
14
August
1997
Accepted:
13
October
1997
The first application of current density functional theory (CDFT) to spontaneously magnetised solids is presented. We show that non-relativistic CDFT without spin-orbit coupling does not lead to finite orbital currents. In accordance with experiment, an enhancement of the spin-orbit–induced orbital magnetic moment is found for the ferromagnets Fe and Co, while for Ni only a minor change was found compared to a plain calculation done within spin density functional theory (SDFT).
PACS: 71.15.Mb – Density functional theory, local density approximation / 71.15.Rf – Relativistic effects / 75.10.Lp – Band and itinerant models
© EDP Sciences, 1997
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