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      Hydrogen: A Relevant Shallow Donor in Zinc Oxide

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          Abstract

          Electron paramagnetic resonance and Hall measurements show consistently the presence of two donors ( D1 and D2) in state-of-the-art, nominally undoped ZnO single crystals. Using electron nuclear double resonance it is found that D1 shows hyperfine interaction with more than 50 shells of surrounding 67Zn nuclei, proving that it is a shallow, effective-mass-like donor. In addition D1 exhibits a single interaction with a H nucleus ( a(H) = 1.4 MHz), thus H is the defining element. It is in agreement with the prediction of Van de Walle [Phys. Rev. Lett. 85, 1012 (2000)] that H acts as a donor in ZnO. The concentration of D1 is 6x10(16) cm(-3) emphasizing its relevance for carrier statistics and applications.

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          Roothaan-Hartree-Fock atomic wavefunctions

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            Hydrogen as a cause of doping in zinc oxide

            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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              Residual Native Shallow Donor in ZnO

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                Author and article information

                Journal
                PRLTAO
                Physical Review Letters
                Phys. Rev. Lett.
                American Physical Society (APS)
                0031-9007
                1079-7114
                January 2002
                January 10 2002
                : 88
                : 4
                Article
                10.1103/PhysRevLett.88.045504
                11801137
                60fa4991-a8f3-41d2-a669-8ea3e32313a4
                © 2002

                http://link.aps.org/licenses/aps-default-license

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