In2Se3/WSe2异质结的电子结构与光电特性

Electronic Structure and Optoelectronic Performance of In2Se3/WSe2 Heterostructures

  • 摘要: 针对高响应度、高探测度光电探测器的应用需求,本文设计并构建了一种 In2Se3/WSe2 范德华异质结,系统研究其电子结构与光学性质,并在此基础上研制出偏振敏感型光电探测器。通过密度泛函理论计算和分子动力学模拟,结合光学吸收及光电探测性能分析,系统研究了该异质结的能带结构、热稳定性、电荷转移机制及其光电特性。研究发现,In2Se3/WSe2异质结展现出0.7 eV的间接带隙和典型的II型能带排列,能够在室温下保持良好的动态稳定性。界面电荷转移分析表明,异质结界面存在显著的电荷分离现象,并形成内建电场,有效抑制了载流子复合。光学吸收特性测试显示,该异质结在紫外光和可见光区域的吸收系数显著高于单层材料,吸收边拓展至太阳光谱的主要能量范围。光电探测器性能测试表明,该异质结在2.0 eV光子能量下表现出高达85的偏振敏感消光比,且载流子迁移率在不同方向上表现出明显的各向异性。综上所述,In2Se3/WSe2异质结凭借其独特的能带结构、优异的热稳定性、高效的载流子分离机制以及出色的偏振敏感性,展现出在宽谱光电探测领域广阔的应用前景。

     

    Abstract: In response to the application demands for high-sensitivity and high-detectivity photodetectors, this paper has designed and constructed an In2Se3/WSe2 van der Waals heterojunction. The electronic structure and optical properties of this heterojunction have been systematically investigated, and on this basis, a polarization-sensitive photodetector has been developed. Through density functional theory calculations and molecular dynamics simulations, combined with optical absorption and photodetector performance analyses, the band structure, thermal stability, charge transfer mechanism, and photoelectric characteristics of the heterojunction have been comprehensively studied. The findings reveal that the In2Se3/WSe2 heterojunction exhibits an indirect bandgap of 0.7 eV and a typical type-II band alignment, and it can maintain good dynamic stability at room temperature. Interface charge transfer analysis indicates that there is a significant charge separation at the heterojunction interface, and an internal electric field is formed, effectively suppressing carrier recombination. Optical absorption characteristic tests show that the absorption coefficient of this heterojunction in the ultraviolet and visible light regions is significantly higher than that of monolayer materials, and the absorption edge is extended to the main energy range of the solar spectrum. Photodetector performance tests demonstrate that the heterojunction has a polarization-sensitive extinction ratio as high as 85 under a photon energy of 2.0 eV, and the carrier mobility exhibits obvious anisotropy in different directions. In summary, the In2Se3/WSe2 heterojunction, with its unique band structure, excellent thermal stability, efficient carrier separation mechanism, and outstanding polarization sensitivity, shows broad application prospects in the field of broadband photodetection.

     

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