Orbital polarization in itinerant magnets.
نویسنده
چکیده
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.
منابع مشابه
Abstract Submitted for the MAR07 Meeting of The American Physical Society Orbital Polarization in Itinerant Magnets
Submitted for the MAR07 Meeting of The American Physical Society Orbital Polarization in Itinerant Magnets IGOR SOLOVYEV, National Institute for Materials Science, Tsukuba, Japan — The correct description of the orbital magnetism is one of the longstanding problems in the density functional theory (DFT). One possible solution is to extend DFT by considering explicit dependence of the exchange-c...
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ورودعنوان ژورنال:
- Physical review letters
دوره 95 26 شماره
صفحات -
تاریخ انتشار 2005