The origin of p-type conductivity in P-doped ZnO

Woo Jin Lee, Joongoo Kang, K. J. Chang

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10 Scopus citations

Abstract

Based on first-principles theoretical calculations, we investigate the electronic structure of various defects in P-doped ZnO. We find that a P O impurity occupying an O site is a deep acceptor while a P Zn atom at a Zn site is the dominant donor, causing a compensation of acceptors. Under O-rich growth conditions, Zn vacancies (VZn) are the main source of p-type conduction. Since VZn is mobile and strongly interacts with abundant PO and PZn defects, resulting complexes, such as PZn-2VZn and PO-V Zn, which behave as acceptors, are likely to be formed under non-equilibrium growth conditions, and are responsible for the p-type conduction. We also investigate the effect of the strong Coulomb repulsion for the Zn d electrons on the electronic properties of various defects.

Original languageEnglish
Pages (from-to)602-607
Number of pages6
JournalJournal of the Korean Physical Society
Volume50
Issue number3
DOIs
StatePublished - Mar 2007

Keywords

  • Electronic structure
  • P-type doping
  • ZnO

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