Direct enumeration studies of band-gap properties of AlxGayIn1-x-yP alloys

作者：Jungthawan Sirichok; Limpijumnong Sukit^*; Collins Reuben; Kim Kwiseon; Graf Peter A; Turner John A

来源：Journal of Applied Physics, 2009, 105(12): 123531.

DOI：10.1063/1.3153948

A band-gap database of a large number of configurations (similar to 5000 configurations) is produced for AlGaInP semiconductor alloys using an empirical pseudopotential method. Our results show that the band gap of this alloy system depends strongly on the cation arrangement in addition to the alloy composition. This indicates that one can effectively control the band gap of alloys by controlling the cation arrangement. For each given alloy composition, the range of possible band gaps is calculated and the complete database of the results is made available online. Our results show that a majority of alloy configurations have band gaps smaller than those predicted by Vegard's law. Our results also show several systematic trends in the band gaps depending on the superlattice directions.

• 出版日期2009-6-15