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- W1979073453 abstract "Crystalline electric field (CEF) parameters and magnetic anisotropic energies for rare-earth atoms R in ${mathit{R}}_{2}$${mathrm{Fe}}_{17}$${mathit{L}}_{mathrm{ensuremath{delta}}}$ compounds are calculated based on first-principles electronic-structure calculations. The parameter ${mathit{A}}_{20}$ of CEF is obtained by using the real charge distribution from the corresponding cluster-model calculation and by directly calculating the crystal CEF parameters from the expansion coefficients of the local potential in the embedded-cluster model. The magnetic anisotropic energy is studied by taking the spin-orbit coupling as a perturbation into account in the semirelativistic embedded-cluster approach. The obtained results are in agreement with the experiments." @default.
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- W1979073453 date "1994-03-01" @default.
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- W1979073453 title "First-principles calculation of magnetocrystalline anisotropy for rare-earth–iron ternary compounds" @default.
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- W1979073453 doi "https://doi.org/10.1103/physrevb.49.6741" @default.
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