中国物理B ›› 2017, Vol. 26 ›› Issue (11): 117202-117202.doi: 10.1088/1674-1056/26/11/117202

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇    下一篇

Biaxial strain-induced enhancement in the thermoelectric performance of monolayer WSe2

Wanhuizi Shen(沈婉慧子), Daifeng Zou(邹代峰), Guozheng Nie(聂国政), Ying Xu(许英)   

  1. 1. School of Physics and Electronic Science, Hunan University of Science and Technology, Xiangtan 411201, China;
    2. Shenzhen Key Laboratory of Nanobiomechanics, Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences, Shenzhen 518055, China
  • 收稿日期:2017-07-03 修回日期:2017-08-10 出版日期:2017-11-05 发布日期:2017-11-05
  • 基金资助:

    Project supported by the National Natural Science Foundation of China (Grant No. 11627801) and the Research Foundation of Education Bureau of Hunan Province of China (Grant Nos. 15B083 and 17B090).

Biaxial strain-induced enhancement in the thermoelectric performance of monolayer WSe2

Wanhuizi Shen(沈婉慧子)1, Daifeng Zou(邹代峰)1,2, Guozheng Nie(聂国政)1, Ying Xu(许英)1   

  1. 1. School of Physics and Electronic Science, Hunan University of Science and Technology, Xiangtan 411201, China;
    2. Shenzhen Key Laboratory of Nanobiomechanics, Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences, Shenzhen 518055, China
  • Received:2017-07-03 Revised:2017-08-10 Online:2017-11-05 Published:2017-11-05
  • Contact: Daifeng Zou E-mail:daifengzou@gmail.com
  • Supported by:

    Project supported by the National Natural Science Foundation of China (Grant No. 11627801) and the Research Foundation of Education Bureau of Hunan Province of China (Grant Nos. 15B083 and 17B090).

摘要:

The effects of biaxial strain on the electronic structure and thermoelectric properties of monolayer WSe2 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 WSe2 is modified by the applied biaxial strain. Furthermore, the doping dependence of the thermoelectric properties of n-and p-doped monolayer WSe2 under biaxial strain is estimated. The obtained results show that the power factor of n-doped monolayer WSe2 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.

关键词: monolayer WSe2, biaxial strain, thermoelectric properties, first-principles

Abstract:

The effects of biaxial strain on the electronic structure and thermoelectric properties of monolayer WSe2 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 WSe2 is modified by the applied biaxial strain. Furthermore, the doping dependence of the thermoelectric properties of n-and p-doped monolayer WSe2 under biaxial strain is estimated. The obtained results show that the power factor of n-doped monolayer WSe2 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.

Key words: monolayer WSe2, biaxial strain, thermoelectric properties, first-principles

中图分类号:  (Thermoelectric and thermomagnetic effects)

  • 72.20.Pa
72.80.Ga (Transition-metal compounds) 31.15.A- (Ab initio calculations)