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Title: Negative- U property of oxygen vacancy in cubic Hf O 2
Authors: Feng, Y.P. 
Lim, A.T.L. 
Li, M.F. 
Issue Date: 2005
Citation: Feng, Y.P., Lim, A.T.L., Li, M.F. (2005). Negative- U property of oxygen vacancy in cubic Hf O 2. Applied Physics Letters 87 (6) : -. ScholarBank@NUS Repository.
Abstract: Oxygen vacancy in cubic Hf O2 was investigated using first-principles calculation based on density functional theory and generalized gradient approximation. Five different charge states (V++, V+, V0, V-, and V - ) were investigated. It was found that the oxygen vacancy in Hf O2 has negative- U behavior and it is energetically favorable for the vacancy to trap two electrons or two holes when the respective charges are injected into the oxide, due to large electron-lattice interaction. Therefore, oxygen vacancy is a main source of charge traps in both n - and p -type metal-oxide-semiconductor field-effect transistors based on Hf O2, and reducing such defects will be useful in limiting charge trapping and in improving the quality of the high- k dielectric in modern complementary metal-oxide semiconductor technology. © 2005 American Institute of Physics.
Source Title: Applied Physics Letters
ISSN: 00036951
DOI: 10.1063/1.2009826
Appears in Collections:Staff Publications

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