Tunable Electrical and Optical Performance of Monolayer HfX2 (X=S, Se) by Strain

Huiru Yang1,2; Siyuan Xu2; Huaiyu Ye2

10.1109/ICEPT56209.2022.9872673

2022

2022 23rd International Conference on Electronic Packaging Technology (ICEPT)

978-1-6654-9906-4

2022 23rd International Conference on Electronic Packaging Technology (ICEPT)

1-4

10-13 Aug. 2022

Dalian, China

2D transition metal dichalcogenides (TMDs) have wide range of exceptional properties compared with graphene that has the potential in the application of optoelectronic devices due to the tunable electrical and optical performance. In this work, the electronic and optical properties of monolayer HfS2 and HfSe2 under uniaxial and biaxial strain are investigated by density functional theory(DFT). The results show that the bandgap of monolayer HfX2 (X=Se, S) will increase significantly with the enhance of tensile force while decreasing linearly with the raise of compressive force in great linearity by adding various gradients of strain in uniaxial and biaxial directions, which can potentially make the monolayer HfX2 (X=Se, S) become good semiconductor material. Besides, the work function of HfX2 increases (decreases) significantly with tensile (compressive) strain. For the optical properties, the absorption coefficient of different wavelength change regularly with different strain. The present findings make monolayer HfX2 (X=S, Se) suitable for the potential applications in various semiconductor and optoelectronic devices.

Monolayer HfS2 And HfSe2 Strain Optoelectronics

通讯

IEEE

1.Harbin Institute of Technology, Harbin, China
2.School of Microelectronics, Southern University of Science and Technology, Shenzhen, China

Huiru Yang,Siyuan Xu,Huaiyu Ye. Tunable Electrical and Optical Performance of Monolayer HfX2 (X=S, Se) by Strain[C],2022:1-4.