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Hernangómez-Pérez, Daniel ; Donarini, Andrea ; Refaely-Abramson, Sivan

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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Details

Item typeArticle
Journal or Publication TitlePhysical 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
Date14 February 2023
InstitutionsPhysics > Institute of Theroretical Physics
Physics > Institute of Theroretical Physics > Chair Professor Grifoni > Group Milena Grifoni
Identification Number
ValueType
10.1103/PhysRevB.107.075419DOI
KeywordsQUANTUM; DISULFIDE; TRANSPORT; DYNAMICS; EXCITONS;
Dewey Decimal Classification500 Science > 530 Physics
StatusPublished
RefereedYes, this version has been refereed
Created at the University of RegensburgYes
URN of the UB Regensburgurn:nbn:de:bvb:355-epub-543829
Item ID54382

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