Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Lee, Juhyung | - |
dc.contributor.author | Bang, Junhyeok | - |
dc.contributor.author | Kang, Joongoo | - |
dc.date.accessioned | 2022-11-02T07:30:28Z | - |
dc.date.available | 2022-11-02T07:30:28Z | - |
dc.date.created | 2022-07-11 | - |
dc.date.issued | 2022-06 | - |
dc.identifier.issn | 1948-7185 | - |
dc.identifier.uri | http://hdl.handle.net/20.500.11750/17033 | - |
dc.description.abstract | Ultrafast charge transfer in van der Waals (vdW) heterostructures enables efficient control of two-dimensional material properties through strong optical absorption and subsequent carrier transfer. Here, using real-time timedependent density functional theory coupled to molecular dynamics, we investigated the nonequilibrium dynamics of charge-density-wave (CDW) melting in 1T-TaS2 triggered by ultrafast charge transfer in 1T-TaS2/MoSe2 or WSe2 heterostructures. Despite the fast and sufficient charge transfer from the MoSe2 (or WSe2) "electrode" to the 1T-TaS2 layer, the electronic excitation of the vdW heterostructure does not lead to the nonthermal CDW transition of 1T-TaS2. Instead, the TaS2 lattice is heated by carrier-lattice scattering, leading to thermal CDW melting at high ionic temperatures. The lack of nonthermal melting follows from the fact that the time scale of carrier recombination in 1T-TaS2 is similar to or faster than that of charge transfer. These findings provide physical insights into understanding the CDW melting dynamics in vdW heterostructures under nonequilibrium conditions. | - |
dc.language | English | - |
dc.publisher | American Chemical Society | - |
dc.title | Nonequilibrium Charge-Density-Wave Melting in 1T-TaS2 Triggered by Electronic Excitation: A Real-Time Time-Dependent Density Functional Theory Study | - |
dc.type | Article | - |
dc.identifier.doi | 10.1021/acs.jpclett.2c01352 | - |
dc.identifier.wosid | 000819355900001 | - |
dc.identifier.scopusid | 2-s2.0-85133214148 | - |
dc.identifier.bibliographicCitation | Journal of Physical Chemistry Letters, v.13, no.25, pp.5711 - 5718 | - |
dc.description.isOpenAccess | FALSE | - |
dc.subject.keywordPlus | PHASE-TRANSITIONS | - |
dc.subject.keywordPlus | STATE | - |
dc.subject.keywordPlus | MICROSCOPY | - |
dc.subject.keywordPlus | DYNAMICS | - |
dc.citation.endPage | 5718 | - |
dc.citation.number | 25 | - |
dc.citation.startPage | 5711 | - |
dc.citation.title | Journal of Physical Chemistry Letters | - |
dc.citation.volume | 13 | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry; Science & Technology - Other Topics; Materials Science; Physics | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical | - |
dc.type.docType | Article | - |
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