Transition-Metal-Substituted Indium Thiospinels as Novel Intermediate-Band Materials : Prediction and Understanding of Their Electronic Properties
作者： P. Palacios , I. Aguilera , K. Sánchez , J. C. Conesa , P. Wahnón
DOI: 10.1103/PHYSREVLETT.101.046403
关键词:
摘要: Results of density-functional calculations for indium thiospinel semiconductors substituted at octahedral sites with isolated transition metals (M=Ti,V) show an partially filled narrow band containing three t2g-type states per M atom inside the usual semiconductor gap. Thanks to this electronic structure feature, these materials will allow absorption photons energy below gap, in addition normal light a semiconductor. To our knowledge, we demonstrate first time formation intermediate through substitution semiconductor, leading enhancement coefficient both infrared and visible ranges solar spectrum. This feature could be applied developing new third-generation photovoltaic cell.
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