Abstract
The Slater-Koster interpolation method is used to find the explicit form of the matrix elements of the Hamiltonian between Bloch functions and so make possible the calculation of the energy bands in crystals with a cubic structure of perovskite type. In the nearest-neighbors approximation the energy matrix contains 23 independent parameters. The obtained formulas can be applied to a wide class of substances with the stated structure.
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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 2, pp. 34–38, February, 1973.
We are indebted to R. F. Egorov for a consultation.
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Granovskii, V.G., Sindeev, Y.G. Formulas of the tight-binding interpolation method for crystals of perovskite type. Soviet Physics Journal 16, 164–166 (1973). https://doi.org/10.1007/BF00892666
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DOI: https://doi.org/10.1007/BF00892666