The design of fluoride-based optical devices for deep ultraviolet applications is discussed. Variations in the band-gap energy and band structure with respect to composition are investigated for Li(1-x)K xBa(1-y)MgyF3 perovskites. The band-gap energy, lattice constant, and band structure of perovskitelike fluorides are estimated based on ab initio calculations within the local-density approximation. The lattice-matched double heterostructure with direct band-gap compounds (Li(1-x)KxBa(1-y)MgyF 3 on either LiBaF3 or KMgF3 substrates) is promising for fabrication.
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