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Fourier expansion of the Hamiltonian of crystals

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Abstract

The number of independent constants in the Fourier expansion of the matrix of the Hamiltonian of crystals can be diminished if the orthogonality of the states corresponding to different complex bands of the crystal is used in addition to taking account of the spatial symmetry, the symmetry relative to time inversion, and the fact that the matrix is Hermitian. Bands with the space group O7 (Si, Ge, cubic SiO2) are examined as an illustration.

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Literature cited

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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 7, pp. 101–105, July, 1981.

In conclusion, the author is grateful to I. V. Abarenkov for useful discussions.

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Smirnov, V.P. Fourier expansion of the Hamiltonian of crystals. Soviet Physics Journal 24, 671–674 (1981). https://doi.org/10.1007/BF00893907

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  • DOI: https://doi.org/10.1007/BF00893907

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