The well converged p/d gaps calculated with the self-consistent symmetrised orthogonalised plane wave method and the Hedin-Lundqvist potential are reported for TiS 2 and TiSe 2 . The various factors having an effect on the size of the gap are discussed. It is concluded that the ideal TiS 2 and TiSe 2 are small-gap semiconductors.
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Isomäki et al. (1981) studied this question.
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