KMS Chongqing Institute of Green and Intelligent Technology, CAS
Tunable electronic and optical properties of WSe2/Si2H heterojunction via electric field | |
Liang,Xianxiao1,2; Zhao,Hongquan3; Zhao,Yang1,2; Deng,Xueyi1,2; Xiao,Zeyun2; Peng,Xiaoyu2; Yuan,Hongkuan4; Shi,Xuan1,2 | |
2024-01-29 | |
摘要 | Abstract Van der Waals heterojunctions based on two-dimensional (2D) materials hold great potential applications in photodetectors. Using the density functional theory (DFT) method, the structures, electronic and optical properties of van der Waals WSe2/Si2H heterojunction are investigated. 1.32 eV of indirect bandgap is calculated from the WSe2/Si2H heterojunction, which is 0.3 eV and 0.1 eV smaller than those of its monolayer WSe2 and Si2H. This contributes to the photocarrier generations, and the Type-II heterojunction also benefits to the separation of the photogenerated electron and hole pairs. A significant hole mobility 1.05 × 104 cm2 V?1 s?1 of the heterojunction along the y-direction is obtained. Moreover, a high Ultraviolet light (UV) absorption coefficient is presented in the heterojunction. The heterojunction transforms to Type-I under a vertical electric field, with the bandgap, orientation and amount of transfer electrons modulated sufficiently. As a result, the optical absorption coefficient of the heterojunction is also improved significantly, leading to the red-shift of the absorption spectrum. These excellent properties address the WSe2/Si2H heterojunction one of the good candidates for UV detectors. |
关键词 | WSe2/Si2H heterojunction first principles extra electric field optical absorption coefficient |
DOI | 10.1088/1402-4896/ad1da9 |
发表期刊 | Physica Scripta |
ISSN | 0031-8949 |
卷号 | 99期号:2 |
通讯作者 | Zhao,Hongquan() ; Yuan,Hongkuan() ; Shi,Xuan() |
WOS记录号 | IOP:ps_99_2_025986 |
语种 | 英语 |