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Updated: Jan 3, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Band alignment engineering: ultrabroadband photodetection with SnX2 (X = S, Se)/ZnS heterostructures
Zhuo-Liang Yu1, Yu-Qing Zhao2, Biao Liu3
1Key Laboratory for Micro/Nano Optoelectronic Devices of Ministry of Education and Hunan Provincial Key Laboratory of Low-Dimensional Structural Physics and Devices, School of Physics and Electronics, Hunan University, Changsha 410082, People's Republic of China.
Abstract:
Ultrabroadband mid-frequency infrared photodetectors have important applications in surveillance, medical diagnosis, bioimaging and navigation aids. Thus, researchers hope to detect mid-infrared radiation with larger wavelength. However, due to the limitation of room temperature, it is difficult for these detectors to detect mid-infrared with 4 µm or larger wavelength. Therefore, at room temperature, how to realize mid-infrared detection in a wide range has become an urgent problem to be solved. In this paper, the band structure of SnX2 (X = S,Se)/ZnS and SnS2(1-ŋ)Se2ŋ /ZnS was studied by the density functional theory based first-principles methods. Under the specific stacking procedure, changing the [Formula: see text] of SnS2(1-ŋ)Se2ŋ , the band gap of heterojunctions can be continuously tuned from 0 to 0.97 eV. Amazingly, the band structure maintains the characteristics of a type-II heterojunction. The photodetection in our work is estimated for wavelengths from 1.2 µm to 10 µm, covering a wide wavelength range of mid-infrared. Such a wide range is considerable in current research. The characteristics of type-II band structure and the wide detection range imply that SnX2 /ZnS has great potential in mid-frequency infrared detection. Our work may provide some breakthroughs for the research of multiband photodetectors at room temperature.

