title: Effects of quantum confinement on the conduction band minimum of semiconductors.
abstract: A scheme has been devised to determine the shifts of the conduction band minimum of semiconductors as a function of size from ab-initio calculations. The method has been applied to CdSe as well as GaAs and the shifts determined. A monotonic decrease is found as a function of particle size, as expected. However, the most unusual aspect of our result is that the conduction band bottom approaches bulk-like values for the largest CdSe particles that we have studied here in contrast to expectations from other theories.
authors.affiliation: Unit for Nanoscience and Technology and Advanced Materials Research Unit, S.N. Bose National Centre for Basic Sciences, JD Block, Sector 111, Salt Lake, Kolkata 700098, India.
authors.forename: Roby
authors.initials: R
authors.lastname: Cherian
authors.forename: Abhinav
authors.initials: A
authors.lastname: Kumar
authors.forename: Priya
authors.initials: P
authors.lastname: Mahadevan