Real-space visualization of a defect-mediated charge density wave transition

Author:

Hart James L.1,Pan Haining2ORCID,Siddique Saif1ORCID,Schnitzer Noah1ORCID,Mallayya Krishnanand2ORCID,Xu Shiyu1ORCID,Kourkoutis Lena F.34ORCID,Kim Eun-ah25,Cha Judy J.1ORCID

Affiliation:

1. Department of Materials Science and Engineering, Cornell University, Ithaca, NY 14853

2. Department of Physics, Cornell University, Ithaca, NY 14853

3. School of Applied and Engineering Physics, Cornell University, Ithaca, NY 14853

4. Kavli Institute at Cornell for Nanoscale Science, Cornell University, Ithaca, NY 14853

5. Department of Physics, Ewha Womans University, Seoul 03760, South Korea

Abstract

We study the coupled charge density wave (CDW) and insulator-to-metal transitions in the 2D quantum material 1T-TaS 2 . By applying in situ cryogenic 4D scanning transmission electron microscopy with in situ electrical resistance measurements, we directly visualize the CDW transition and establish that the transition is mediated by basal dislocations (stacking solitons). We find that dislocations can both nucleate and pin the transition and locally alter the transition temperature T c by nearly ~75 K. This finding was enabled by the application of unsupervised machine learning to cluster five-dimensional, terabyte scale datasets, which demonstrate a one-to-one correlation between resistance—a global property—and local CDW domain-dislocation dynamics, thereby linking the material microstructure to device properties. This work represents a major step toward defect-engineering of quantum materials, which will become increasingly important as we aim to utilize such materials in real devices.

Funder

U.S. Department of Energy

Gordon and Betty Moore Foundation

NSF | National Science Foundation Graduate Research Fellowship Program

National Science Foundation

Eric and Wendy Schmidt AI in Science Postdoctoral Fellowship

Publisher

Proceedings of the National Academy of Sciences

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