Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 140, Issue 12, Pages -Publisher
AIP Publishing
DOI: 10.1063/1.4869142
Keywords
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Funding
- National Science Foundation (NSF) [1124733, 1128304]
- Semiconductor Research Corporation (SRC) Nanoelectronic Research Initiative [NEB-2020]
- FAME
- one of six centers of STARnet
- Semiconductor Research Corporation program by MARCO
- DARPA
- University Grant Council of the Government of HKSA [AoE/P-04/08]
- NSF [OCI-1053575]
- Directorate For Engineering [1128304] Funding Source: National Science Foundation
- Div Of Electrical, Commun & Cyber Sys [1128304] Funding Source: National Science Foundation
- Div Of Electrical, Commun & Cyber Sys
- Directorate For Engineering [1124733] Funding Source: National Science Foundation
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The electronic and thermoelectric properties of one to four monolayers of MoS2, MoSe2, WS2, and WSe2 are calculated. For few layer thicknesses, the near degeneracies of the conduction band K and Sigma valleys and the valence band Gamma and K valleys enhance the n-type and p-type thermoelectric performance. The interlayer hybridization and energy level splitting determine how the number of modes within k(B)T of a valley minimum changes with layer thickness. In all cases, the maximum ZT coincides with the greatest near-degeneracy within k(B)T of the band edge that results in the sharpest turn-on of the density of modes. The thickness at which this maximum occurs is, in general, not a monolayer. The transition from few layers to bulk is discussed. Effective masses, energy gaps, powerfactors, and ZT values are tabulated for all materials and layer thicknesses. (c) 2014 AIP Publishing LLC.
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