Low-Scaling <i>GW</i> Algorithm Applied to Twisted Transition-Metal Dichalcogenide Heterobilayers-Reference-Cited by-同舟云学术

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Low-Scaling GW Algorithm Applied to Twisted Transition-Metal Dichalcogenide Heterobilayers

Published:2024-02-14 Issue:5 Volume:20 Page:2202-2208
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Graml Maximilian¹²^ORCID,Zollner Klaus¹,Hernangómez-Pérez Daniel³^ORCID,Faria Junior Paulo E.¹,Wilhelm Jan¹²^ORCID

Affiliation:

1. Institute of Theoretical Physics, University of Regensburg, 93053 Regensburg, Germany

2. Regensburg Center for Ultrafast Nanoscopy (RUN), University of Regensburg, 93053 Regensburg, Germany

3. Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovot 7610001, Israel

Funder

European Research Council

Minerva Foundation

Deutsche Forschungsgemeinschaft

Graphene Flagship

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c01230

Reference65 articles.

1. Atomically ThinMoS2: A New Direct-Gap Semiconductor

2. Signatures of moiré-trapped valley excitons in MoSe2/WSe2 heterobilayers

3. Twist-angle dependence of moiré excitons in WS2/MoSe2 heterobilayers

4. Deep moiré potentials in twisted transition metal dichalcogenide bilayers

5. Structure of the moiré exciton captured by imaging its electron and hole

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1. A robust, simple, and efficient convergence workflow for GW calculations;npj Computational Materials;2024-06-27

2. Validation of the GreenX library time-frequency component for efficient GW and RPA calculations;Physical Review B;2024-06-03

3. First-principles guidelines to select promising van der Waals materials for hybrid photovoltaic–triboelectric nanogenerators;Nanoscale;2024

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