Biaxial strain-induced enhancement in the thermoelectric performance of monolayer WSe_2

• 作 者: 沈婉慧子 邹代峰 聂国政 许英
• 机 构: School of Physics and Electronic Science, Hunan University of Science and Technology,Shenzhen Key La
• 出 处: Chinese Physics B
• 发表日期: 2017年11期
• 关键词: monolayer compressive doping Seebeck tensile relaxation Strain Fermi Boltzmann o

The effects of biaxial strain on the electronic structure and thermoelectric properties of monolayer WSe_2 have been investigated by using first-principles calculations and the semi-classical Boltzmann transport theory. The electronic band gap decreases under strain, and the band structure near the Fermi level of monolayer WSe_2 is modified by the applied biaxial strain. Furthermore, the doping dependence of the thermoelectric properties of n-and p-doped monolayer WSe_2 under biaxial strain is estimated. The obtained results show that the power factor of n-doped monolayer WSe_2 can be increased by compressive strain while that of p-doping can be increased with tensile strain. Strain engineering thus provides a direct method to control the electronic and thermoelectric properties in these two-dimensional transition metal dichalcogenides materials.

The effects of biaxial strain on the electronic structure and thermoelectric properties of monolayer WSe_2 have been investigated by using first-principles calculations and the semi-classical Boltzmann transport theory. The electronic band gap decreases under strain, and the band structure near the Fermi level of The resulting results show that the power factor of n-doped monolayer WSe_2 can be modified by the applied biaxial strain of n-and p-doped monolayer WSe_2. increased by compressive strain while that of p-doping can be increased with tensile strain. strain engineering provided provides direct method to control the electronic and thermoelectric properties in these two-dimensional transition metal dichalcogenides materials.