Revisiting the origin of non-volatile resistive switching in MoS2 atomristor

IF 9.1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY npj 2D Materials and Applications Pub Date : 2024-12-05 DOI:10.1038/s41699-024-00518-0
Asif A. Shah, Aadil Bashir Dar, Mayank Shrivastava
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Abstract

Recently, Non-Volatile Resistive Switching (NVRS) has been demonstrated in Metal-monolayer MoS2-Metal atomristors. While experiments based on Au metal report the origin of NVRS to be extrinsic, caused by the Au atom adsorption into sulfur vacancies, however, more recently molecular dynamics based on reactive forcefield (ReaxFF) suggest that both monolayer and multilayer MoS2 can also host intrinsic non-volatile resistive states whereby an S atom at a monosulfur vacancy (parent state) pops into the molybdenum plane (popped state) under applied out-of-plane electric field. Our rigorous computations based on Density Functional Theory (DFT) and M3GNet (deep learned forcefield) to carry out structural relaxations and molecular dynamics reveal that such a popped state is unstable and does not represent any intrinsic non-volatile resistive state. This is in contrast with the ReaxFF used in previous studies which inaccurately describes the Potential Energy Surface (PES) of MoS2 around the popped state. More importantly, Au atom adsorbed at a sulfur vacancy in MoS2 atomristors represents a stable non-volatile resistive state which is in excellent agreement with earlier experiment. Furthermore, it is observed that the local heating generated around the adsorbed Au atom in low resistive state leads to cycle-to-cycle variability in MoS2 atomristors.

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来源期刊
npj 2D Materials and Applications
npj 2D Materials and Applications Engineering-Mechanics of Materials
CiteScore
14.50
自引率
2.10%
发文量
80
审稿时长
15 weeks
期刊介绍: npj 2D Materials and Applications publishes papers on the fundamental behavior, synthesis, properties and applications of existing and emerging 2D materials. By selecting papers with the potential for impact, the journal aims to facilitate the transfer of the research of 2D materials into wide-ranging applications.
期刊最新文献
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