Abstract
The design principle for fluoride-containing optical devices for applications in the deep ultraviolet range is discussed. Variations in band gap energy, band structure and lattice constant of LiBaxCaySr(1-x-y)F3 and Li(1-x)KxBa(1-y)MgyF3 have been studied. The band structure and transition type of these fluorides are predicted by ab initio band calculations based on the local density approximation. The lattice-matched double-hetero structure of direct-band-gap compounds LiBaxCaySr(1-x-y)F3 on LiSrF3 and Li(1-x)KxBa(1-y)MgyF3 on either LiBaF3 or KMgF3 is sufficiently feasible to fabricate.
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