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Two-dimensional CdPSe3 semiconductor as a potential candidate for high-performance thermoelectric material

Title
Two-dimensional CdPSe3 semiconductor as a potential candidate for high-performance thermoelectric material
Authors
Yun, Won SeokLee, JaeDong
DGIST Authors
Lee, JaeDong
Issue Date
2019-04-25
Citation
2019 KPS Spring Meeting
Type
Conference
Abstract
Two-dimensional (2D) semiconducting materials have attracted much attention because of their potential applications in nanoscale optoelectronics, phtovoltaics, phtocatalysis, spintronic devices, and so on. In this connection, searching for novel 2D semiconductors with excellent performance is a challenging issue in the field of low-dimensional systems. In the present work, we perform the first-principles electronic structure calculations to investigate the thermodynamic stability, transport, and thermoelectric properties of single-layer (1L-) CdPSe3 which is belong to ternary transition metal phosphorus trichalcogenides (TMPTCs) materials. Consequently, 1L-CdPSe3 is shown to be easily isolated from the bulk counterpart and in addition the thermodynamically stable based on both the first-principles molecular dynamics and phonon dispersion calculations. Simultaneously, using the deformation potential method, an electron and hole mobilities of 1L-CdPSe3 are calculated to be ~390 and ~300 cm2 V−1 s−1, respectively, which is comparable to that of 1L-MoS2. Furthermore, detailed discussion of thermoelectric properties of 1L-CdPSe3 will be given.
URI
http://hdl.handle.net/20.500.11750/14485
Publisher
한국물리학회
Related Researcher
  • Author Lee, JaeDong Light and Matter Theory Laboratory
  • Research Interests Theoretical Condensed Matter Physics; Ultrafast Dynamics and Optics; Nonequilibrium Phenomena
Files:
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Collection:
Department of Physics and ChemistryLight and Matter Theory Laboratory2. Conference Papers


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