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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Veröffentlicht in:Physical review letters 2005-12, Vol.95 (26), p.267205.1-267205.4, Article 267205
1. Verfasser: SOLOVYEV, I. V
Format: Artikel
Sprache:eng
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Zusammenfassung: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.
ISSN:0031-9007
1079-7114
DOI:10.1103/PhysRevLett.95.267205