The nature of the aluminum–aluminum oxide interface: A nanoscale picture of the interfacial structure and energy-level alignment |
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| Authors: | Eung-Gun Kim Jean-Luc Brédas |
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| Affiliation: | 1. School of Chemistry and Biochemistry and Center for Organic Photonics and Electronics, Georgia Institute of Technology, Atlanta, GA 30332-0400, USA;2. Department of Polymer Science and Engineering, Dankook University, Jukjeon, Gyeonggi 448-701, Republic of Korea;3. Department of Chemistry, King Abdulaziz University, Jeddah 21589, Saudi Arabia |
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| Abstract: | We propose a new structural model for the Al(1 1 1)/Al2O3(0 0 0 1) interface based on density functional theory calculations. The ultrathin interface structure is shown to consist of two Al layers, one that is oxide-like and the other metal-like. Our model interface reproduces the barrier height to the oxide conduction band edge and predicts the oxide overlayer to lower the metal work function by 0.49 eV. |
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