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- Lee, Geunsik
- Computational Research on Electronic Structure and Transport in Condensed Materials
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Origin of HfO2/GaAs interface states and interface passivation: A first principles study
- Alternative Title
- Origin of HfO2/GaAs interface states and interface passivation: A first principles study
- Author(s)
- Wang, Weichao, Xiong, Ka, Lee, Geunsik, Huang, Min, Wallace, Robert M., Cho, Kyeongjae
- Issued Date
- 2010-09
- Citation
- APPLIED SURFACE SCIENCE, v.256, no.22, pp.6569 - 6573
- Abstract
- First principles calculations of HfO2/GaAs interfaces indicate that the interface states originate from the charge mismatch between HfO2 and GaAs surfaces. We find that a model neutral interface (HfO2 and GaAs surfaces terminated with two O and one Ga atoms per surface unit cell) removes gap states due to the balance of the interface charge. F and H can neutralize the HfO2/GaAs interface resulting in useful band offsets, thus becoming possible candidates to passivate the interface states. (C) 2010 Elsevier B.V. All rights reserved
- Publisher
- ELSEVIER SCIENCE BV
- ISSN
- 0169-4332
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