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Title:
Hydrogen as a Cause of Doping in Zinc Oxide
Authors:
van de Walle, Chris G.
Affiliation:
AA(Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14 195 Berlin-Dahlem, Germany,)
Publication:
Physical Review Letters, Volume 85, Issue 5, July 31, 2000, pp.1012-1015 (PhRvL Homepage)
Publication Date:
07/2000
Origin:
AIP; APS
DOI:
10.1103/PhysRevLett.85.1012
Bibliographic Code:
2000PhRvL..85.1012V

Abstract

Zinc oxide, a wide-band-gap semiconductor with many technological applications, typically exhibits n-type conductivity. The cause of this conductivity has been widely debated. A first-principles investigation, based on density functional theory, produces strong evidence that hydrogen acts as a source of conductivity: it can incorporate in high concentrations and behaves as a shallow donor. This behavior is unexpected and very different from hydrogen's role in other semiconductors, in which it acts only as a compensating center and always counteracts the prevailing conductivity. These insights have important consequences for control and utilization of hydrogen in oxides in general.
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