PMID: 19928286Nov 26, 2009Paper

Effects of quantum confinement on the conduction band minimum of semiconductors

Journal of Nanoscience and Nanotechnology
Roby CherianPriya Mahadevan

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.