Orbital polarization in itinerant magnets

We propose a parameter-free scheme of calculation of the orbital polarization (OP) in metals, which starts with the strong-coupling limit for the screened Coulomb interactions in the random-phase approximation (RPA). For itinerant magnets, RPA can be further improved by restoring the spin polarizati...

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Bibliographic Details
Published in:	Physical review letters Vol. 95; no. 26; pp. 267205.1 - 267205.4
Main Author:	SOLOVYEV, I. V
Format:	Journal Article
Language:	English
Published:	Ridge, NY American Physical Society 31-12-2005
Subjects:	Condensed matter: electronic structure, electrical, magnetic, and optical properties Exact sciences and technology General theory and models of magnetic ordering Magnetic properties and materials Physics Screening Anisotropy Ferromagnetic materials Spin polarization Local spin density approximation Random phase approximation Self-energy Coulomb interaction
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Summary:	We propose a parameter-free scheme of calculation of the orbital polarization (OP) in metals, which starts with the strong-coupling limit for the screened Coulomb interactions in the random-phase approximation (RPA). For itinerant magnets, RPA can be further improved by restoring the spin polarization of the local-spin-density approximation through the local-field corrections. The OP is then computed as the self-energy correction in the static GW method, which systematically improves the orbital magnetization and the magnetic anisotropy energies in transition-metal and actinide compounds.
Bibliography:	ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23
ISSN:	0031-9007 1079-7114
DOI:	10.1103/PhysRevLett.95.267205