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  Optical classification of excitonic phases in molecular functionalized atomically-thin semiconductors

Christiansen, D., Selig, M., Rossi, M., & Knorr, A. (2023). Optical classification of excitonic phases in molecular functionalized atomically-thin semiconductors. Physical Review B, 107(4): L041401. doi:10.1103/PhysRevB.107.L041401.

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PhysRevB.107.L041401.pdf (Publisher version), 600KB
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Supplemental Material: The supplemental material contains information on the used Hamiltonian, on the derivation of the optical response, and a critical discussion on electron-hole liquids.
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https://arxiv.org/abs/2112.03135 (Preprint)
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https://doi.org/10.1103/PhysRevB.107.L041401 (Publisher version)
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 Creators:
Christiansen, D.1, Author
Selig, M.1, Author
Rossi, M.2, 3, Author           
Knorr, A.1, Author
Affiliations:
1Institut für Theoretische Physik, Nichtlineare Optik und Quantenelektronik, Technische Universität Berlin, ou_persistent22              
2Simulations from Ab Initio Approaches, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_3185035              
3Fritz Haber Institute of the Max Planck Society, ou_persistent22              

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 Abstract: The excitonic insulator is an elusive electronic phase exhibiting a correlated excitonic ground state. Materials with such a phase are expected to have intriguing properties such as excitonic high-temperature superconductivity. However, compelling evidence on the experimental realization is still missing. Here, we theoretically propose hybrids of two-dimensional semiconductors functionalized by organic molecules as prototypes of excitonic insulators, with the exemplary candidate WS2-F6TCNNQ. This material system exhibits an excitonic insulating phase at room temperature with a ground state formed by a condensate of interlayer excitons. To address an experimentally relevant situation, we calculate the corresponding phase diagram for the important parameters: temperature, gap energy, and dielectric environment. Further, to guide future experimental detection, we show how to optically characterize the different excitonic phases via far-infrared to terahertz spectroscopy valid also for monolayer materials.

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Language(s): eng - English
 Dates: 2022-12-052021-12-072022-12-082023-01-092023-01-15
 Publication Status: Issued
 Pages: -
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 Rev. Type: Peer
 Identifiers: arXiv: 2112.03135
DOI: 10.1103/PhysRevB.107.L041401
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Project name : We thank K. Bolotin (FU Berlin), F. von Oppen (FU Berlin), and S. Reich (FU Berlin) for fruitful discussions. Additionally, we appreciate the discussions with F. Katsch, M. Katzer, and L. Greten (TU Berlin). We acknowledge financial support from the Deutsche Forschungsgemeinschaft (DFG) through SFB 951 (D.C., M.S., M.R., and A.K.) Project No. 182087777. D.C. thanks the graduate school Advanced Materials (SFB 951) for support.
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Title: Physical Review B
  Abbreviation : Phys. Rev. B
Source Genre: Journal
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Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 107 (4) Sequence Number: L041401 Start / End Page: - Identifier: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008