中国物理B ›› 2026, Vol. 35 ›› Issue (6): 67305-067305.doi: 10.1088/1674-1056/ae3db7

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PtSSe/AlN heterojunctions with favorable photogenerated currents and structural stability

Zhen Cui(崔真)1,2,†, Lannan Yan(鄢岚楠)1, Yuqiao Ren(任语乔)3, Junliang Yao(姚俊良)1, and Chenxing Liu(刘晨兴)1   

  1. 1 School of Automation and Information Engineering, Xi'an University of Technology, Xi'an 710048, China;
    2 Xi'an Key Laboratory of Wireless Optical Communication and Network Research, Xi'an University of Technology, Xi'an 710048, China;
    3 School of Electronic Science and Engineering, Xi'an Jiaotong University, Xi'an 710049, China
  • 收稿日期:2025-10-14 修回日期:2026-01-20 接受日期:2026-01-27 发布日期:2026-06-05
  • 通讯作者: Zhen Cui E-mail:zcui@xaut.edu.cn
  • 基金资助:
    Project supported by the National Natural Science Foundation of China Youth Fund (Grant No. 12104362) and the Shaanxi Provincial Innovative Talent Promotion Program — Youth Science and Technology Rising Star Project (Grant No. 2022KJXX-61).

PtSSe/AlN heterojunctions with favorable photogenerated currents and structural stability

Zhen Cui(崔真)1,2,†, Lannan Yan(鄢岚楠)1, Yuqiao Ren(任语乔)3, Junliang Yao(姚俊良)1, and Chenxing Liu(刘晨兴)1   

  1. 1 School of Automation and Information Engineering, Xi'an University of Technology, Xi'an 710048, China;
    2 Xi'an Key Laboratory of Wireless Optical Communication and Network Research, Xi'an University of Technology, Xi'an 710048, China;
    3 School of Electronic Science and Engineering, Xi'an Jiaotong University, Xi'an 710049, China
  • Received:2025-10-14 Revised:2026-01-20 Accepted:2026-01-27 Published:2026-06-05
  • Contact: Zhen Cui E-mail:zcui@xaut.edu.cn
  • Supported by:
    Project supported by the National Natural Science Foundation of China Youth Fund (Grant No. 12104362) and the Shaanxi Provincial Innovative Talent Promotion Program — Youth Science and Technology Rising Star Project (Grant No. 2022KJXX-61).

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摘要： A comprehensive first-principles and density functional theory study was conducted to explore the band structure, differential charge redistribution, optical properties, and photoelectric detection characteristics of PtSSe/AlN heterojunctions. The results identify the PtSSe/AlN heterojunction as a structurally stable, type-II semiconductor, demonstrating an indirect bandgap of 1.53 eV, and representing a typical van der Waals heterojunction capable of efficient electron–hole pair separation. The internal electric field induced by the interface serves to lower the barrier height, thus promoting carrier injection. The application of strain maintains the type-II band alignment, ensuring high stability. Meanwhile, PtSSe/AlN heterojunctions have good light-harvesting capability in the ultraviolet to visible spectrum, exhibiting three pronounced absorption peaks within the visible spectral range. The self-powered photodetector based on this heterojunction achieves high photocurrent density under different polarized lights; when the incident light energy is 2.6 eV, the maximum value of the extinction coefficient is about 14. The results indicate the device’s versatility for applications, including in photoelectric detectors, optical modulators, and sensors. This research provides theoretical foundations for developing novel photodetectors, establishes a robust basis for experimental studies and device fabrication, and holds promise for advancing high-performance multifunctional optoelectronic devices.

关键词: PtSSe/AlN, first principles, heterojunction photodetector, extinction ratio

Abstract: A comprehensive first-principles and density functional theory study was conducted to explore the band structure, differential charge redistribution, optical properties, and photoelectric detection characteristics of PtSSe/AlN heterojunctions. The results identify the PtSSe/AlN heterojunction as a structurally stable, type-II semiconductor, demonstrating an indirect bandgap of 1.53 eV, and representing a typical van der Waals heterojunction capable of efficient electron–hole pair separation. The internal electric field induced by the interface serves to lower the barrier height, thus promoting carrier injection. The application of strain maintains the type-II band alignment, ensuring high stability. Meanwhile, PtSSe/AlN heterojunctions have good light-harvesting capability in the ultraviolet to visible spectrum, exhibiting three pronounced absorption peaks within the visible spectral range. The self-powered photodetector based on this heterojunction achieves high photocurrent density under different polarized lights; when the incident light energy is 2.6 eV, the maximum value of the extinction coefficient is about 14. The results indicate the device’s versatility for applications, including in photoelectric detectors, optical modulators, and sensors. This research provides theoretical foundations for developing novel photodetectors, establishes a robust basis for experimental studies and device fabrication, and holds promise for advancing high-performance multifunctional optoelectronic devices.

Key words: PtSSe/AlN, first principles, heterojunction photodetector, extinction ratio

中图分类号:  (Other semiconductor-to-semiconductor contacts, p-n junctions, and heterojunctions)

  • 73.40.Lq
78.20.Jq (Electro-optical effects) 82.47.Jk (Photoelectrochemical cells, photoelectrochromic and other hybrid electrochemical energy storage devices)