Band-structure design of fluoride complex materials for deep-ultraviolet light-emitting diodes
Band-structure design of fluoride complex materials for deep-ultraviolet light-emitting diodes
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DOI：
10.1143/jjap.44.7285
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发表时间：
2005-10-01
期刊：
影响因子：
--
通讯作者：
Fukuda, T
中科院分区：
文献类型：
--
作者：
Ono, S;El Ouenzerfi, R;Fukuda, T
讨论了应用于深紫外波段的含氟光学器件的设计原理。研究了LiBaxCaySr(1-x-y)F3和Li(1-x)KxBa(1-y)MgyF3带隙能、能带结构和晶格常数的变化。基于局域密度近似，用从头算方法预测了这些氟化物的能带结构和跃迁类型。直接带隙化合物LiBaxCaySr(1-x-y)F3在LiSrF3上和Li(1-x)KxBa(1-y)MgyF3在LiBaF3或KMgF3上的晶格匹配双异质结构是充分可行的。
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.