Zihui Chen, Kan-Hao Xue, Heng Yu, Zijian Zhou, Shanzhong Xie, Xiangshui Miao
The reducibility of the metal element is directly related to the Kohn–Sham defect level height with respect to the conduction band in metal oxides. The theory may be applied to predict the oxygen vacancy-induced electron trap level in oxides.
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