Electronic structures of silicon doped ZnO

R. Chowdhury, P. Rees, S. Adhikari, F. Scarpa, S. P. Wilks

Research output: Contribution to journalArticlepeer-review

23 Scopus citations

Abstract

We have calculated the electronic structure of ZnO systems doped with Silicon (Si) using generalized gradient approximation. We found that a donor level is formed while Zn is substituted by Si. The variation in band gap is calculated as a function of Si concentration in Zn1-xSixO (0 ≤ x ≤ 12.5) system and comparisons are made with recently published experimental results. Further, we observed that, substitution of Si at O site forms deep acceptor levels near the top of the valence band, and thereby a weak p-type transformation of the system can be realized.

Original languageEnglish (US)
Pages (from-to)1980-1985
Number of pages6
JournalPhysica B: Condensed Matter
Volume405
Issue number8
DOIs
StatePublished - Apr 15 2010

Keywords

  • Electronic structure
  • First-principles
  • Wurtzite ZnO

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials
  • Electrical and Electronic Engineering

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