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Charge state-dependent symmetry breaking of atomic defects in transition metal dichalcogenides

Feifei Xiang1*, Lysander Huberich1, Preston A. Vargas2, Riccardo Torsi3, Jonas Allerbeck1, Anne Marie Z. Tan2,4, Chengye Dong5, Pascal Ruffieux1, Roman Fasel1, Oliver Gröning1, Yu-Chuan Lin3,6, Richard G. Hennig2, Joshua A. Robinson3,5,7, Bruno Schuler1

1 nanotech@surfaces Laboratory, Empa – Swiss Federal Laboratories for Materials Science and Technology, Dübendorf, 8600, Switzerland

2 Department of Materials Science and Engineering, University of Florida, Gainesville, FL, 32611, USA

3 Department of Materials Science and Engineering, The Pennsylvania State University, University Park, PA, 16082, USA

4 Institute of High Performance Computing (IHPC), Agency for Science, Technology and Research (A*STAR), Singapore, 138632, Republic of Singapore

5 Two-Dimensional Crystal Consortium, The Pennsylvania State University, University Park, PA, 16802, USA

6 Department of Materials Science and Engineering, National Yang Ming Chiao Tung University, Hsinchu City, 300, Taiwan, ROC

7 Department of Chemistry and Department of Physics, The Pennsylvania State University, University Park, PA, 16802, USA

* Corresponding authors emails: feifei.xiang@empa.ch
DOI10.24435/materialscloud:jc-sx [version v1]

Publication date: Jul 03, 2024

How to cite this record

Feifei Xiang, Lysander Huberich, Preston A. Vargas, Riccardo Torsi, Jonas Allerbeck, Anne Marie Z. Tan, Chengye Dong, Pascal Ruffieux, Roman Fasel, Oliver Gröning, Yu-Chuan Lin, Richard G. Hennig, Joshua A. Robinson, Bruno Schuler, Charge state-dependent symmetry breaking of atomic defects in transition metal dichalcogenides, Materials Cloud Archive 2024.101 (2024), https://doi.org/10.24435/materialscloud:jc-sx


The functionality of atomic quantum emitters is intrinsically linked to their host lattice coordination. Structural distortions that spontaneously break the lattice symmetry strongly impact their optical emission properties and spin-photon interface. In a recent manuscript, we report on the direct imaging of charge state-dependent symmetry breaking of two prototypical atomic quantum emitters in mono- and bilayer MoS₂ by scanning tunneling microscopy (STM) and non-contact atomic force microscopy (nc-AFM). By changing the built-in substrate chemical potential, different charge states of sulfur vacancies (VacS) and substitutional rhenium dopants (ReMo) can be stabilized. VacS⁻¹ as well as ReMo⁰ and ReMo⁻¹ exhibit local lattice distortions and symmetry-broken defect orbitals attributed to a Jahn-Teller effect (JTE) and pseudo-JTE, respectively. By mapping the electronic and geometric structure of single point defects, we disentangle the effects of spatial averaging, charge multistability, configurational dynamics, and external perturbations that often mask the presence of local symmetry breaking. This record contains data to support the results discussed in our manuscript.

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External references

Journal reference (Manuscript where the results are discussed)
F. Xiang, L. Huberich, P. A. Vargas, R. Torsi, J. Allerbeck, A. M. Z. Tan, C. Dong, P. Ruffieux, R. Fasel, O. Gröning, Y.-C. Lin, R. G. Hennig, J. A. Robinson, B. Schuler, Nat. Commun. 15, 2738 (2024). doi:10.1038/s41467-024-47039-4


SNSF 2D materials jahn-teller effect ERC DFG STM

Version history:

2024.101 (version v1) [This version] Jul 03, 2024 DOI10.24435/materialscloud:jc-sx