Journal of Electronic Materials

, Volume 37, Issue 5, pp 743–748 | Cite as

First-Principles Studies of Metal (111)/ZnO{0001} Interfaces

Open Access
Article

Abstract

The atomic and electronic structures for various metal (111)/ZnO{111} interfaces were studied by first-principles calculations based on density functional theory. The Schottky barrier heights (SBHs) were evaluated for Al, Ag, and Au/ZnO interfaces. SBHs at metal/ZnO polar interfaces were found to be very sensitive to the specific interface chemical bonding. Interface metal-zinc bonding tends to give Ohmic contacts, while the contribution of metal-oxygen bonds depends on the specific metal: simple metals gives Ohmic contacts whereas noble metals gives Schottky-like behavior. We discussed the implications of these results for controlling the formation of metal/ZnO contacts.

Keywords

ZnO first principles metal/ZnO interface Schottky barrier height 

Notes

Acknowledgement

The authors gratefully acknowledge Dr. Yuanping Feng at the National University of Singapore for the computation resources. We acknowledge Office of Naval Research Grant N00014-03-1-0001 (Colin Wood) for support of oxide electronic materials studies.

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Copyright information

© TMS 2007

Authors and Affiliations

  1. 1.Department of Electrical and Computer EngineeringThe Ohio State UniversityColumbusUSA

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