Abstract
The energy band structure of mechanically free and compressed LiRbSO4 single crystals is investigated. It is established that the top of the valence band is located at the D point of the Brillouin zone [k = (0.5, 0.5, 0)], the bottom of the conduction band lies at the Γ point, and the minimum direct band gap E g is equal to 5.20 eV. The bottom of the conduction band is predominantly formed by the Li s, Li p, Rb s, and Rb p states hybridized with the S p and O p antibonding states. The pressure coefficients corresponding to the energies of the valence and conduction band states and the band gap E g are determined, and the pressure dependences of the refractive indices n i are analyzed.
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Original Russian Text © O.V. Bovgyra, V.I. Stadnyk, O.Z. Chyzh, 2006, published in Fizika Tverdogo Tela, 2006, Vol. 48, No. 7, pp. 1200–1204.
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Bovgyra, O.V., Stadnyk, V.I. & Chyzh, O.Z. Energy band structure and refractive properties of LiRbSO4 crystals. Phys. Solid State 48, 1268–1272 (2006). https://doi.org/10.1134/S1063783406070080
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DOI: https://doi.org/10.1134/S1063783406070080