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 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.
Solovyev
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Computational Materials Science Center, National Institute for Materials Science, Tsukuba, Ibaraki, Japan. solovyev.igor@nims.go.jp