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- W1983758301 abstract "The tight-binding method has been employed to calculate energy bands in ferromagnetic nickel. The basis set consisted of atomic wave functions for the $1s$, $2s$, $3s$, $4s$, $2p$, $3p$, and $4p$ states, expressed as linear combinations of Gaussian orbitals, and five individual Gaussian orbitals for each $3d$ state. The Coulomb part of the crystal potential was constructed from a superposition of overlapping neutral-atom charge densities, the atoms being in the ${d}^{9}{s}^{1}$ configuration. The $Xensuremath{alpha}$ method of Slater et al. was used to construct an exchange potential. Energy levels were calculated at 1505 points in $frac{1}{48}mathrm{th}$ of the Brillouin zone. The results are generally in good agreement with those obtained from other first-principles calculations. The properties for several positions on the Fermi surface are determined and compared with experiment. The spin splitting of the $d$ bands is calculated to be about 0.8 eV. A spin-wave reciprocal effective mass of 0.165 (in atomic units) is obtained." @default.
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- W1983758301 date "1972-01-01" @default.
- W1983758301 modified "2023-09-27" @default.
- W1983758301 title "Energy Bands in Ferromagnetic Nickel" @default.
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- W1983758301 doi "https://doi.org/10.1103/physrevb.5.124" @default.
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