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DOE OSTI · 2426977

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

Hart, James L. [Cornell Univ., Ithaca, NY (United States)]·Pan, Haining [Cornell Univ., Ithaca, NY (United States)] (ORCID:0000000286855717)·Siddique, Saif [Cornell Univ., Ithaca, NY (United States)] (ORCID:0000000303001087)·Schnitzer, Noah [Cornell Univ., Ithaca, NY (United States)] (ORCID:0000000210421146)·Mallayya, Krishnanand [Cornell Univ., Ithaca, NY (United States)] (ORCID:000000019889410X)·Xu, Shiyu [Cornell Univ., Ithaca, NY (United States)] (ORCID:000000023061632X)·Kourkoutis, Lena F. [Cornell Univ., Ithaca, NY (United States)] (ORCID:0000000213031362)·Kim, Eun-ah [Cornell Univ., Ithaca, NY (United States); Ewha Womans Univ., Seoul (Korea, Republic of)]·Cha, Judy J. [Cornell Univ., Ithaca, NY (United States)] (ORCID:0000000263462814)
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Abstract

Here, 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.

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4D-STEMcharge density wavein situ electron microscopymachine learningphase transitionsphysical sciences

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Hart, James L. [Cornell Univ., Ithaca, NY (United States)], Pan, Haining [Cornell Univ., Ithaca, NY (United States)] (ORCID:0000000286855717), Siddique, Saif [Cornell Univ., Ithaca, NY (United States)] (ORCID:0000000303001087), Schnitzer, Noah [Cornell Univ., Ithaca, NY (United States)] (ORCID:0000000210421146), Mallayya, Krishnanand [Cornell Univ., Ithaca, NY (United States)] (ORCID:000000019889410X), Xu, Shiyu [Cornell Univ., Ithaca, NY (United States)] (ORCID:000000023061632X), Kourkoutis, Lena F. [Cornell Univ., Ithaca, NY (United States)] (ORCID:0000000213031362), Kim, Eun-ah [Cornell Univ., Ithaca, NY (United States); Ewha Womans Univ., Seoul (Korea, Republic of)], Cha, Judy J. [Cornell Univ., Ithaca, NY (United States)] (ORCID:0000000263462814). 2024-08-06. Real-space visualization of a defect-mediated charge density wave transition. https://doi.org/10.1073/pnas.2402129121

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