• 文献标题:   DFT calculations of 2D graphene like ZnS:Mn sheet for RESOLFT microscopic applications
  • 文献类型:   Article
  • 作  者:   SHARMA R, SHARMA R, CHAUHAN A
  • 作者关键词:   resolft microscopy, 2d graphene like zns:mn, density functional theory, twodimensional material, monolayer, doped 2d sheet
  • 出版物名称:   JOURNAL OF COMPUTATIONAL ELECTRONICS
  • ISSN:   1569-8025 EI 1572-8137
  • 通讯作者地址:  
  • 被引频次:   1
  • DOI:   10.1007/s10825-022-01925-6 EA AUG 2022
  • 出版年:   2022

▎ 摘  要

The reversible saturable optical fluorescence transition (RESOLFT) super-resolution microscopic technique can produce high-resolution images of organic and semiconductor materials by breaking the conventional diffraction limit. In the present paper, we investigate the graphene like zinc sulfide (ZnS) doped with Mn two-dimensional (2D) sheet by using density functional theory computation which is further applied to identify the excitation and depletion laser beam wavelengths for the RESOLFT microscopic applications. The calculated band structure analysis indicates the semiconducting nature of pristine 2D graphene like ZnS with direct energy band gap of 2.60 eV in F direction which is consistent with recent reports of the literature. Further, Mn dopant in 2D graphene like ZnS has shown the reduction in the energy band gap in spin up channel and increase in bond lengths adjacent to the dopant in comparison with the undoped ZnS monolayer system. The origin of absorption peak at 2.31 eV is obtained owing to the typical T-4(1) and (6)A(1) spectroscopic transition of Mn dopant in the 2D graphene like ZnS:Mn which is further explored for the RESOLFT measurements by selecting the appropriate excitation and depletion beam wavelengths.