期刊
PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE
卷 205, 期 8, 页码 1929-1933出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/pssa.200778850
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Electronic structures and carrier transport properties were studied based oil ab-initio calculations for Au/ZnO/Au and Mg/ZnO/Mg two-probe models, Quantum-mechanically stable structures were obtained by density functional calculations. Electron transmission spectra and current-voltage characteristics were calculated based on a non-equilibrium Green function method with the relaxed structures. It was found that the electronic structures of the idealized models were a Schottky contact for the Au/ZnO/Au interface and an ohmic contact for the Mg/ZnO/Mg interface. (c) 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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