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Lee, Geunsik
Electronic Structure and Transport in Condensed Materials
Research Interests
  • open quantum system, non-equilibrium electron transport
  • electron correlation, dynamical mean field theory
  • 2D materials, metal complexes

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Origin of HfO2/GaAs interface states and interface passivation: A first principles study

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Title
Origin of HfO2/GaAs interface states and interface passivation: A first principles study
Other Titles
Origin of HfO2/GaAs interface states and interface passivation: A first principles study
Author
Wang, WeichaoXiong, KaLee, GeunsikHuang, MinWallace, Robert M.Cho, Kyeongjae
Issue Date
2010-09
Publisher
ELSEVIER SCIENCE BV
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
URI
https://scholarworks.unist.ac.kr/handle/201301/13276
URL
http://www.sciencedirect.com/science/article/pii/S016943321000560X
DOI
10.1016/j.apsusc.2010.04.048
ISSN
0169-4332
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CHM_Journal Papers
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