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• W1966389731 abstract "A Korringa-Kohn-Rostoker first-principles computation of the band structure of ferromagnetic hcp cobalt is reported. A muffin-tin potential and a Kohn-Sham exhange-correlation potential were used in conjunction with a rigid exchange splitting. Twelve energy bands in $frac{1}{24mathrm{th}}$ of the hcp Brillouin zone were calculated as well as the density of states and the Fermi surface. The exchange splitting was found to be 1.39 eV and a total density of states at the Fermi level of 15.61 electrons/(atom Ry). The spin-orbit coupling constant ${ensuremath{xi}}_{3d}$ has been computed and is equal to 6 ifmmodetimeselsetexttimesfi{} ${10}^{ensuremath{-}3}$ Ry. The essential features of the band structure agreed with the requirements of the itinerant-electron model of ferromagnetism of the Stoner-Wohlfarth theory. Our resulting density of states was able to explain the available photoemission data. The calculated Fermi surface is in good agreement with the de Haas-van Alphen experiments, particularly for the neck of the point $ensuremath{Gamma}$ in the spin-up Fermi surface. The spin-orbit interaction has been taken into account in a qualitative way in order to explain the orbits around $L$ in the spin-down Fermi surface. A comparison with the existing experimental data has permitted us to estimate the mass enhancement due to many-body effects at the $ensuremath{Gamma}$ neck as 1.04, resulting in a value of 0.81 for the electron-magnon contribution." @default.
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• W1966389731 date "1975-01-01" @default.
• W1966389731 modified "2023-10-09" @default.
• W1966389731 title "Band structure and Fermi surface of hcp ferromagnetic cobalt" @default.
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• W1966389731 doi "https://doi.org/10.1103/physrevb.11.545" @default.
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