期刊
JOURNAL OF ELECTRONIC MATERIALS
卷 37, 期 5, 页码 743-748出版社
SPRINGER
DOI: 10.1007/s11664-007-0295-1
关键词
ZnO; first principles; metal; ZnO interface; Schottky barrier height
资金
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [0803276] Funding Source: National Science Foundation
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.
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