The variation of band gap energy, band structure and lattice constant of mixed LiBaF 3 , LiCaF 3 and LiSrF 3 perovskites is studied. The band structure and transition type of these fluorides is predicted by ab initio band calculation based on the local density approximation. The design principle of vacuum ultraviolet light emitting diode is proposed. The lattice-matched double-hetero structure of different perovskite-like fluorides is found to be sufficiently feasible to fabricate with direct-band-gap compounds LiBa x Ca y Sr (1- x - y ) F 3 on LiSrF 3 .
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Ouenzerfi et al. (2004) studied this question.
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