Abstract
The influence factor of filaments consisted of oxygen vacancies (VOs) is important for resistive switching. In this paper, the interaction between VOs in MgO and its influence on VO-filaments are studied using density functional theory. It reveals that the VOs in MgO tend to be aggregation state. The distribution of energy level for VO pair in band gap changes with different configurations. The interaction between VO chains also results in their aggregation state in MgO insulator. The calculation results show that with the diameter of filament increasing, the formation energy per VO decreases and the filaments presents semiconductor-metal transition. Based on these calculation results, the set process of MgO based resistive switching is discussed.
Highlights
Resistive switching (RS) effect has attracted much attention of researchers because its application in resistance random access memory (RRAM) and neuromorphic computing.1–3 The resistive switching effect can be realized in most of oxides, such as NiO, TaOx, HfO2, MgO, et al.4–13 The mechanism of RS of oxides is still an open topic till
According to the reported results, there are many factors contributing to properties of filaments, such as set voltage; compliance current; the structure of insulator et al In this paper, using first-principles method, we draw our aims on the influence of interaction between VOs on formation of VO-filament in MgO based RSs
The calculated band gap of pure MgO is 4.24 eV, which is in accord with other reported calculated results, but smaller than experiment results
Summary
Resistive switching (RS) effect has attracted much attention of researchers because its application in resistance random access memory (RRAM) and neuromorphic computing.1–3 The resistive switching effect can be realized in most of oxides, such as NiO, TaOx, HfO2, MgO, et al.4–13 The mechanism of RS of oxides is still an open topic till now. Considering the defect in MgO can take vary charge state,27 we have calculate the formation energy of charged oxygen vacancy by formula: Efqorm = Edqefect − EMgO + nμO + qEF
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