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Charge quenching at defect states in transition metal dichalcogenide–graphene van der Waals heterobilayers
Hernangómez-Pérez, Daniel, Donarini, Andrea
and Refaely-Abramson, Sivan
(2023)
Charge quenching at defect states in transition metal dichalcogenide–graphene van der Waals heterobilayers.
Physical Review B 107 (7), 075419.
Date of publication of this fulltext: 19 Jun 2023 10:40
Article
DOI to cite this document: 10.5283/epub.54382
Abstract
We study the dynamical properties of pointlike defects, represented by monoatomic chalcogen vacancies, in WS2-graphene and MoS2-graphene heterobilayers. Employing a multidisciplinary approach based on the combination of ab initio, model Hamiltonian and density matrix techniques, we propose a minimal interacting model that allows for the calculation of electronic transition times associated to ...
We study the dynamical properties of pointlike defects, represented by monoatomic chalcogen vacancies, in WS2-graphene and MoS2-graphene heterobilayers. Employing a multidisciplinary approach based on the combination of ab initio, model Hamiltonian and density matrix techniques, we propose a minimal interacting model that allows for the calculation of electronic transition times associated to population and depopulation of the vacancy by an additional electron. We obtain the "coarse-grained" semiclassical dynamics by means of a quantum master equation approach and discuss the potential role of virtual charge fluctuations in the internal dynamics of impurity quasidegenerate states. The interplay between the symmetry of the lattice and the spin degree of freedom through the spin-orbit interaction and its impact on charge quenching is studied in detail.
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Hernangómez-Pérez, Daniel, Donarini, Andrea
and Refaely-Abramson, Sivan
(2023)
Charge quenching at defect states in transition metal dichalcogenide–graphene van der Waals heterobilayers.
Physical Review B 107 (7), 075419.
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Hernangómez-Pérez, Daniel
, Donarini, Andrea
and Refaely-Abramson, Sivan
(2023)
Data archive of "Charge quenching at defect states in transition metal dichalcogenide–graphene van derWaals heterobilayers".
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Details
| Item type | Article | ||||
| Journal or Publication Title | Physical Review B | ||||
| Publisher: | AMER PHYSICAL SOC | ||||
|---|---|---|---|---|---|
| Open Access Type: | Due to SHERPA/RoMEO | ||||
| Place of Publication: | COLLEGE PK | ||||
| Volume: | 107 | ||||
| Number of Issue or Book Chapter: | 7 | ||||
| Page Range: | 075419 | ||||
| Date | 14 February 2023 | ||||
| Institutions | Physics > Institute of Theroretical Physics Physics > Institute of Theroretical Physics > Chair Professor Grifoni > Group Milena Grifoni | ||||
| Identification Number |
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| Keywords | QUANTUM; DISULFIDE; TRANSPORT; DYNAMICS; EXCITONS; | ||||
| Dewey Decimal Classification | 500 Science > 530 Physics | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Yes | ||||
| URN of the UB Regensburg | urn:nbn:de:bvb:355-epub-543829 | ||||
| Item ID | 54382 |
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