Molecular dynamics simulations of oxide memory resistors (memristors)
S. E. Savel'ev, A. S. Alexandrov, A. M. Bratkovsky, and R. Stanley, Williams

TL;DR
This study uses molecular dynamics simulations to explore the behavior of oxide memristors, revealing how vacancy interactions influence device properties and phenomena like polarity inversion.
Contribution
It introduces a detailed simulation approach to understand vacancy dynamics and their impact on memristor behavior, highlighting the role of competing interactions.
Findings
Vacancy interactions cause density fluctuations and short-range order.
Simulations reproduce memristor polarity inversion phenomena.
Insights into the microscopic mechanisms of oxide memristors.
Abstract
Reversible bipolar nano-switches that can be set and read electronically in a solid-state two-terminal device are very promising for applications. We have performed molecular-dynamics simulations that mimic systems with oxygen vacancies interacting via realistic potentials and driven by an external bias voltage. The competing short- and long-range interactions among charged mobile vacancies lead to density fluctuations and short-range ordering, while illustrating some aspects of observed experimental behavior, such as memristor polarity inversion.
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