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  Traversing Double-Well Potential Energy Surfaces: Photoinduced Concurrent Intralayer and Interlayer Structural Transitions in XTe2 (X = Mo, W)

Qi, Y., Guan, M., Zahn, D., Vasileiadis, T., Seiler, H., Windsor, Y. W., et al. (2022). Traversing Double-Well Potential Energy Surfaces: Photoinduced Concurrent Intralayer and Interlayer Structural Transitions in XTe2 (X = Mo, W). ACS Nano, 16(7), 11124-11135. doi:/10.1021/acsnano.2c03809.

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 Creators:
Qi, Yingpeng1, 2, Author           
Guan, Mengxue3, Author
Zahn, Daniela1, Author           
Vasileiadis, Thomas1, Author           
Seiler, Helene1, Author           
Windsor, Yoav William1, Author           
Zhao, Hui3, Author
Meng, Sheng3, 4, Author
Ernstorfer, Ralph1, Author           
Affiliations:
1Physical Chemistry, Fritz Haber Institute, Max Planck Society, ou_634546              
2Center for Ultrafast Science and Technology, School of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240, China, ou_persistent22              
3Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, P. R. China, ou_persistent22              
4School of Physical Sciences, University of Chinese Academy of Sciences, Beijing 100049, China, ou_persistent22              

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 Abstract: The microscopic arrangement of atoms and molecules is the determining factor in how materials behave and perform; i.e., the structure determines the property, a traditional paradigm in materials science. Photoexcitation-driven manipulation of the crystal structure and associated electronic properties in quantum materials provides opportunities for the exploration of exotic physics and practical applications; however, a generalized mechanism for such symmetry engineering is absent. Here, by ultrafast electron diffraction, structure factor calculation, and TDDFT-MD simulations, we report the photoinduced concurrent intralayer and interlayer structural transitions in the Td and 1T′ phases of XTe2 (X = Mo, W). We discuss the modification of multiple quantum electronic states associated with the intralayer and interlayer structural transitions, such as the topological band inversion and the higher-order topological state. The twin structures and the stacking faults in XTe2 are also identified by ultrafast structural responses. The comprehensive study of the ultrafast structural response in XTe2 suggests the traversal of all double-well potential energy surfaces (DWPES) by laser excitation, which is expected to be an intrinsic mechanism in the field of photoexcitation-driven global/local symmetry engineering and also a critical ingredient inducing the exotic properties in the non-equilibrium state in a large number of material systems.

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Language(s): eng - English
 Dates: 2022-04-192022-07-012022-07-062022-07-26
 Publication Status: Published in print
 Pages: 12
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: /10.1021/acsnano.2c03809
 Degree: -

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Project name : FLATLAND - Electron-lattice-spin correlations and many-body phenomena in 2D semiconductors and related heterostructures
Grant ID : 682843
Funding program : Horizon 2020 (H2020)
Funding organization : European Commission (EC)

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Title: ACS Nano
  Other : ACS Nano
Source Genre: Journal
 Creator(s):
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Publ. Info: Washington, DC : American Chemical Society
Pages: 12 Volume / Issue: 16 (7) Sequence Number: - Start / End Page: 11124 - 11135 Identifier: ISSN: 1936-0851
CoNE: https://pure.mpg.de/cone/journals/resource/1936-0851