Hydrogen as a Cause of Doping in Zinc Oxide

Chris G. Van de Walle
Phys. Rev. Lett. 85, 1012 – Published 31 July 2000
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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.

  • Received 3 February 2000

DOI:https://doi.org/10.1103/PhysRevLett.85.1012

©2000 American Physical Society

Authors & Affiliations

Chris G. Van de Walle*

  • Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14 195 Berlin-Dahlem, Germany,
  • and Paul-Drude-Institut, Hausvogteiplatz 5-7, D-10117 Berlin, Germany

  • *Permanent address: Xerox Palo Alto Research Center, 3333 Coyote Hill Road, Palo Alto, CA 94304.Email address: vandewalle@parc.xerox.com

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Issue

Vol. 85, Iss. 5 — 31 July 2000

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