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• W2019942703 abstract "The magnetocrystalline anisotropy energies (MAEs) of the ferromagnetic metals bcc Fe, fcc and hcp Co, and fcc Ni have been calculated by using the {it ab initio} tight-binding method. Disentangling the strong correlation among the $d$ orbitals with the Hamiltonian in the local spin-density approximation, we have investigated the orbital polarizations induced by the Hubbard $U$ and Racah $B$. The experimental MAE of fcc Ni is found with the value of $U$ close to that determined from experiments and used in other theories. With the optimized values of $U$ and $J$, both the MAEs and the orbital moments for Fe and Co are in close agreement with experiment." @default.
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• W2019942703 date "2004-05-28" @default.
• W2019942703 modified "2023-09-26" @default.
• W2019942703 title "Magnetocrystalline anisotropy and orbital polarization in ferromagnetic transition metals" @default.
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• W2019942703 doi "https://doi.org/10.1103/physrevb.69.172407" @default.
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