Doping by large-size-mismatched impurities: the microscopic origin of arsenic- or antimony-doped p-type zinc oxide | Health & Environmental Research Online (HERO)

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Citation
Tags

HERO ID

1020751

Reference Type

Journal Article

Title

Doping by large-size-mismatched impurities: the microscopic origin of arsenic- or antimony-doped p-type zinc oxide

Author(s)

Limpijumnong, S; Zhang, SB; Wei, SH; Park, CH

Year

2004

Is Peer Reviewed?

Journal

Physical Review Letters
ISSN: 0031-9007
EISSN: 1079-7114

Volume

Issue

Page Numbers

155504

Language

English

PMID

15169296

DOI

10.1103/PhysRevLett.92.155504

Web of Science Id

WOS:000220993000028

Abstract

Based on first-principles calculations, a model for large-size-mismatched group-V dopants in ZnO is proposed. The dopants do not occupy the O sites as is widely perceived, but rather the Zn sites: each forms a complex with two spontaneously induced Zn vacancies in a process that involves fivefold As coordination. Moreover, an As(Zn)-2V(Zn) complex may have lower formation energy than any of the parent defects. Our model agrees with the recent observations that both As and Sb have low acceptor-ionization energies and that to obtain p-type ZnO requires O-rich growth or annealing conditions.