Full metadata record
DC Field | Value | Language |
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dc.contributor.author | Yun, Won Seok | - |
dc.contributor.author | Lee, JaeDong | - |
dc.date.accessioned | 2019-12-12T08:32:25Z | - |
dc.date.available | 2019-12-12T08:32:25Z | - |
dc.date.created | 2019-11-26 | - |
dc.date.issued | 2019-11 | - |
dc.identifier.citation | Applied Physics Letters, v.115, no.19, pp.193105 | - |
dc.identifier.issn | 0003-6951 | - |
dc.identifier.uri | http://hdl.handle.net/20.500.11750/10913 | - |
dc.description.abstract | Searching for two-dimensional (2D) functional semiconductors with excellent performance is a central issue in the field of 2D materials. Using the first-principles calculation combined with the Boltzmann transport theory, we survey the thermodynamic stabilities, electronic transports, and thermoelectric performances of single-layer (1L-) CdPSe3, which is a transition-metal phosphorus trichalcogenide. Through an investigation of the cleavage energy, we reveal that an isolation into 1L-CdPSe3 from the bulk form is guaranteed, which is in addition thermodynamically stable, as confirmed by both the first-principles molecular dynamics and the phonon spectrum. Electron and hole mobilities of 1L-CdPSe3 are calculated and found to be ∼390 and ∼300 cm2 V-1 s-1, respectively. The lattice thermal conductivity of 1L-CdPSe3 is shown to be as low as ∼1.25 W m-1 K-1 at room temperature. Finally, the thermoelectric figure of merit of 1L-CdPSe3 is calculated to be ∼1.2 under the p-type optimal doping at a high temperature (1200 K). This suggests that 1L-CdPSe3 could be a promising candidate for pursuing an excellent thermoelectric functionality, in particular, valid even at high temperatures. © 2019 Author(s). | - |
dc.language | English | - |
dc.publisher | American Institute of Physics | - |
dc.title | Single-layer CdPSe3: A promising thermoelectric material persisting in high temperatures | - |
dc.type | Article | - |
dc.identifier.doi | 10.1063/1.5123442 | - |
dc.identifier.wosid | 000496513200034 | - |
dc.identifier.scopusid | 2-s2.0-85074663825 | - |
dc.type.local | Article(Overseas) | - |
dc.type.rims | ART | - |
dc.description.journalClass | 1 | - |
dc.citation.publicationname | Applied Physics Letters | - |
dc.contributor.nonIdAuthor | Yun, Won Seok | - |
dc.identifier.citationVolume | 115 | - |
dc.identifier.citationNumber | 19 | - |
dc.identifier.citationStartPage | 193105 | - |
dc.identifier.citationTitle | Applied Physics Letters | - |
dc.type.journalArticle | Article | - |
dc.description.isOpenAccess | N | - |
dc.subject.keywordPlus | MONOLAYER MOS2 | - |
dc.subject.keywordPlus | THERMAL-CONDUCTIVITY | - |
dc.subject.keywordPlus | VALLEY POLARIZATION | - |
dc.contributor.affiliatedAuthor | Yun, Won Seok | - |
dc.contributor.affiliatedAuthor | Lee, JaeDong | - |
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