Microscopic origins of electron and hole stability in ZnO

C Richard A Catlow; Alexey A Sokol; Aron Walsh

doi:10.1039/c1cc10314h

Microscopic origins of electron and hole stability in ZnO

Chem Commun (Camb). 2011 Mar 28;47(12):3386-8. doi: 10.1039/c1cc10314h. Epub 2011 Feb 15.

Authors

C Richard A Catlow¹, Alexey A Sokol, Aron Walsh

Affiliation

¹ University College London, Kathleen Lonsdale Materials Chemistry, Department of Chemistry, 20 Gordon Street, London WC1H 0AJ, UK. c.r.a.catlow@ucl.ac.uk

PMID: 21327201
DOI: 10.1039/c1cc10314h

Abstract

We present a fundamental method to assess the doping limits of hetero-polar materials; applied to the case of ZnO, we show clearly that electrons are stable and holes are unstable under the limits of thermodynamic control.