Phase-field model of coupled insulator-metal transitions and oxygen vacancy redox reactions

Shi, Yin; Gopalan, Venkatraman; Chen, Long-Qing

doi:10.1103/physrevb.107.l201110

Title: Phase-field model of coupled insulator-metal transitions and oxygen vacancy redox reactions

Journal Article · 15 May 2023 · Physical Review. B

DOI: https://doi.org/10.1103/physrevb.107.l201110 · OSTI ID:1973401

^[1]; Gopalan, Venkatraman ^[1];

^[1]

Pennsylvania State Univ., University Park, PA (United States)

A predominant ubiquitous feature of strongly correlated oxides is the possible presence of oxygen vacancies, which has recently been shown to have profound effects on their electronic phase transitions. Here, we formulate a comprehensive phase-field model of intercoupled insulator-metal transitions and oxygen vacancy redox reactions, taking into account the valence electron state of oxygen vacancies. We use the model to study the voltage self-oscillation phenomenon in a prototypical strongly correlated oxide, VO₂, and discover the mutual activation of the insulator-metal transition and oxygen vacancy redox reactions leading to systematic enhancement of the oscillation frequency. Furthermore, the established methodology and the mutual activation mechanism are generally applicable to understanding any insulator-metal transition dynamics in oxygen-deficient correlated oxides and improving the performance of voltage self-oscillation-based artificial neurons.

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Research Organization:: Pennsylvania State Univ., University Park, PA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE

Grant/Contract Number:: SC0020145

OSTI ID:: 1973401

Alternate ID(s):: OSTI ID: 1973722; OSTI ID: 2341977

Journal Information:: Physical Review. B, Vol. 107, Issue 20; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Phase-field model of coupled insulator-metal transitions and oxygen vacancy redox reactions

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