Electronic and Thermoelectric Properties of Few-Layer Transition Metal Dichalcogenides

الأصل · EN

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 Σ valleys and the valence band Γ 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 kBT of a valley minimum changes with layer thickness. In all cases, the maximum ZT coincides with the greatest near-degeneracy within kBT 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, power-factors, and ZT values are tabulated for all materials and layer thicknesses.