Strain-engineered photoluminescence of silicon nanoclusters

X. H. Peng, S. Ganti, A. Alizadeh, P. Sharma, S. K. Kumar, S. K. Nayak

Research output: Contribution to journalArticle

61 Scopus citations

Abstract

Density functional calculations on silicon clusters show that strain effects on the band gap display qualitatively new trends for dots smaller than ∼2 nm. While the bulk indirect band gap increases linearly with increasing strain, this trend is reversed for small clusters (≤1 nm). In the intermediate 1-2 nm size range, strain appears to have almost no effect. These results follow from the fact that the bonding/antibonding character of the HOMO and the LUMO change nonmonotonically with size. Since the strain level of the surface atoms dominate this behavior, they strongly stress the role of surface passivation on experimentally measured band gaps.

Original languageEnglish (US)
Article number035339
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume74
Issue number3
DOIs
StatePublished - Aug 3 2006
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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