You can use the filter on the left to narrow the results
Previous
Type
All Books Papers
Title
Author
Keywords
ISBN
DOI Access
CSIC digital access
Search
Details
PublicationPhysical Review Letters
Year2008
Volume101
Pages046403-1/4
International

Transition Metal Substituted Indium Thiospinels as Novel Intermediate Band Materials: Prediction and Understanding of their Electronic Properties

Authors:P. Palacios , I. Aguilera , K. Sánchez , J. C. Conesa, P. Wahnón
Groups of research:Nanostructured Catalysts for Energy

Results of density-functional calculations for indium thiospinel semiconductors substituted at octahedral sites with isolated transition metals (M = Ti;V) show an isolated partially filled narrow band containing three t2g-type states per M atom inside the usual semiconductor band gap. Thanks to this electronic structure feature, these materials will allow the absorption of photons with energy below the band gap, in addition to the normal light absorption of a semiconductor. To our knowledge, we demonstrate for the first time the formation of an isolated intermediate electronic band structure through M substitution at octahedral sites in a semiconductor, leading to an enhancement of the absorption coefficient in both infrared and visible ranges of the solar spectrum. This electronic structure feature could be applied for developing a new third-generation photovoltaic cell.

Keywords:Indium sulphide, Intermediate band, DFT, spinel, transition metal
logo de CSIC