Multi-scale modeling of oxygen vacancies assisted charge transport in sub-stoichiometric TiOx for RRAM application

O. Pirrotta, A. Padovani, L. Larcher, L. Zhao, B. Magyari-Kope, Y. Nishi
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引用次数: 2

Abstract

In this work we investigate the charge transport in sub-stoichiometric TiOx for RRAM applications. We explored the atomic defect configurations actively assisting the charge transport in sub-stoichiometric TiOx through a multi-scale approach. We combined density-functional-theory-based non-equilibrium Green's function approach (DFT_NEGF) with physical-based trap assisted tunneling (TAT) modeling to identify the defects dominating the current conduction mechanism and the physical parameters of the defects responsible for the trap-assisted tunneling (TAT). The values of the thermal ionization energy ET and relaxation energy EREL extracted are 0.35-0.4eV and 0.7eV, respectively.
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RRAM应用中氧空位辅助电荷输运的多尺度模拟
在这项工作中,我们研究了亚化学计量TiOx在RRAM应用中的电荷输运。我们通过多尺度方法探索了亚化学计量TiOx中积极协助电荷输运的原子缺陷构型。我们将基于密度泛函理论的非平衡格林函数方法(DFT_NEGF)与基于物理的陷阱辅助隧道(TAT)模型相结合,以识别主导电流传导机制的缺陷和导致陷阱辅助隧道(TAT)的缺陷的物理参数。提取的热电离能ET和弛豫能EREL值分别为0.35 ~ 0.4 ev和0.7eV。
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