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Theory of nonvolatile resistive switching in monolayer molybdenum disulfide with passive electrodes

Mitra, S and Kabiraj, A and Kabiraj, S (2021) Theory of nonvolatile resistive switching in monolayer molybdenum disulfide with passive electrodes. In: npj 2D Materials and Applications, 5 (1).

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Official URL: https://doi.org/10.1038/s41699-021-00209-0


Resistive-memory devices promise to revolutionize modern computer architecture eliminating the data-shuttling bottleneck between the memory and processing unit. Recent years have seen a surge of experimental demonstrations of such devices built upon two-dimensional materials based metal�insulator�metal structures. However, the fundamental mechanism of nonvolatile resistive switching has remained elusive. Here, we conduct reactive molecular dynamics simulations for a sulfur vacancy inhabited monolayer molybdenum disulfide-based device with inert electrode systems to gain insight into such phenomena. We observe that with the application of a suitable electric field, at the vacancy positions, the sulfur atom from the other plane pops and gets arrested in the plane of the molybdenum atoms. Rigorous first principles based calculations surprisingly reveal localized metallic states (virtual filament) and stronger chemical bonding for this new atomic arrangement, explaining the nonvolatile resistive switching. We further observe that localized Joule heating plays a crucial role in restoring the popped sulfur atom to its original position. The proposed theory, which delineates both unipolar and bipolar switching, may provide useful guidelines for designing high-performance resistive-memory-based computing architecture. © 2021, The Author(s).

Item Type: Journal Article
Publication: npj 2D Materials and Applications
Publisher: Nature Research
Additional Information: This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
Keywords: Atoms; Calculations; Chemical bonds; Computation theory; Electric fields; Electrodes; Layered semiconductors; Memory architecture; Molecular dynamics; Molybdenum compounds; Monolayers; Sulfur compounds; Switching, Atomic arrangement; Bipolar switching; Experimental demonstrations; Fundamental mechanisms; Molybdenum disulfide; Reactive molecular dynamics; Resistive switching; Two-dimensional materials, Switching theory
Department/Centre: Division of Electrical Sciences > Electronic Systems Engineering (Formerly Centre for Electronic Design & Technology)
Date Deposited: 02 Jul 2021 16:07
Last Modified: 02 Jul 2021 16:07
URI: http://eprints.iisc.ac.in/id/eprint/68700

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