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The electronic structures were calculated for BiTeBr and BiTeI using the density-functional theory approach and accounting for the strong spin–orbital interaction. Qualitatively, the band structures for two compounds are similar, showing strong mixing of the p states of all elements in vicinity of the Fermi level, with the band gaps of 0.595 and 0.478eV for BiTeBr and BiTeI, respectively. The optimized...
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