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 |
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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. |
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ISSN: | 0031-9007 1079-7114 |
DOI: | 10.1103/PhysRevLett.95.267205 |