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The origin of negative charging in amorphous Al2O3 films: the role of native defects

机译:无定形Al2O3薄膜负荷的起源:天然缺陷的作用

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Amorphous aluminum oxide Al2O3 (a-Al2O3) layers grown by various deposition techniques contain a significant density of negative charges. In spite of several experimental and theoretical studies, the origin of these charges still remains unclear. We report the results of extensive density functional theory calculations of native defects-O and Al vacancies and interstitials, as well as H interstitial centers-in different charge states in both crystalline alpha-Al2O3 and in a-Al2O3. The results demonstrate that both the charging process and the energy distribution of traps responsible for negative charging of a-Al2O3 films (Zahid et al 2010 IEEE Trans. Electron Devices 57 2907) can be understood assuming that the negatively charged O-i and V-Al defects are nearly compensated by the positively charged H-i, V-O and Al-i defects in as prepared samples. Following electron injection, the states of Al-i, V-O or H-i in the band gap become occupied by electrons and sample becomes negatively charged. The optical excitation energies from these states into the oxide conduction band agree with the results of exhaustive photo-depopulation spectroscopy measurements (Zahid et al 2010 IEEE Trans. Electron Devices 57 2907). This new understanding of the origin of negative charging of a-Al2O3 films is important for further development of nanoelectronic devices and solar cells.
机译:通过各种沉积技术生长的非晶铝氧化物Al2O3(A-Al2O3)层含有显着的负电荷密度。尽管有几种实验和理论研究,但这些费用的起源仍然尚不清楚。我们报告了天然缺陷-O和Al空位和间质性的广泛密度函数理论计算的结果,以及结晶α-Al2O3和A-Al2O3中的不同电荷状态的H间隙中心。结果表明,可以理解,假设带负电的OI和V-AL缺陷,可以理解,负责对A-Al2O3薄膜负荷负荷的陷阱的充电工艺和能量分布。是带负电的oi和v-al缺陷的牵引装置57 2907)几乎通过作为制备的样品中的带正电荷的HI,VO和Al-I缺陷来补偿。在电子注射之后,带隙中的Al-I,V-O或H-I的状态被电子和样品被带负电。来自这些状态的光学激发能量进入氧化物传导频段,这与详尽的光缺位光谱测量结果一致(Zahid等,IEEE Trans。电子设备57 2907)。这种对A-Al2O3薄膜负荷起源的新了解对于进一步发展纳米电子器件和太阳能电池是重要的。

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