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Interface electronic structures of zinc oxide and metals: First-principle study

✍ Scribed by Kamiya, T. ;Tajima, K. ;Nomura, K. ;Yanagi, Hiroshi ;Hosono, H.

Publisher
John Wiley and Sons
Year
2008
Tongue
English
Weight
436 KB
Volume
205
Category
Article
ISSN
0031-8965

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✦ Synopsis

Abstract

Electronic structures and carrier transport properties were studied based on 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. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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