Based on a generalized two-band Hamiltonian, the paper studies the formation of magnetic moment, energy spectrum and d-electron density of states of transition metals. It is shown that sd electron degeneracy in Hamiltonian results in the additional exchange-correlation energy of electrons, which in cooperation with the correlation energy determines the electronic structure of d-transition metals. In this case, the electron density of states has three peaks on the three-dimensional diagrams. And if the exchange-correlation energy is neglected, one peak disappears.
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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 9, pp. 102–111, September, 2020.
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Kizhaev, F.G., Medvedev, N.N. & Starygina, O.V. Energy Spectrum and Electron Density of States in 3D-Transition Metals and Alloys. Russ Phys J 63, 1562–1574 (2021). https://doi.org/10.1007/s11182-021-02207-7
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DOI: https://doi.org/10.1007/s11182-021-02207-7