Oxygen vacancies in high dielectric constant oxides La2O3, Lu2O3, and LaLuO3
作者： Ka Xiong , John Robertson
DOI: 10.1063/1.3176214
关键词: Condensed matter physics 、 Permittivity 、 Charge (physics) 、 Penning trap 、 Oxygen 、 High-κ dielectric 、 Trapping 、 Chemistry 、 Density functional theory 、 Perovskite (structure)
摘要: We present first principles calculations of the energy levels oxygen vacancy in La2O3, Lu2O3, and LaLuO3. The are found to lie above Si gap when aligned using experimental band offsets. In hexagonal LaLuO3, vacancies with four neighbors behave similarly those HfO2, which identified as main electron trap, while six have no negative charged state so that they less important for charge trapping. Oxygen perovskite LaLuO3 only positive do not act trap.
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