Laser & Optoelectronics Progress, Volume. 60, Issue 15, 1516002(2023)

Electronic and Optical Properties of Low-Concentration Ge Doping and Substitution of Sn and Ge for CsPbI3

Dengqi Zhang1, Hanmin Tian1,2、*, Quanmin He1, Xiaoya Song1, Wenfang Liu1, and Yuerong Wang1
Author Affiliations
  • 1School of Electronics and Information Engineering, Hebei University of Technology, Tianjin 300401, China
  • 2Tianjin Key Laboratory of Electronic Materials and Device, Tianjin 300401, China
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    The structure, electronic and optical properties of inorganic perovskite materials CsBI3 (B= Pb, Sn, Ge) are analyzed based on the first principle by Siesta software. First, a stable material structure is obtained using the GGA-PBE and GGA-PBEsol methods. Then, the bandgap of the material is analyzed based on two density functional methods GGA-PBE and GGA-BLYP. This work simulates the material strain by changing the lattice constant of the material, showing that the bandgap increases with an increase in the lattice constant. Moreover, doping with Ge can decrease the bandgap of supercell CsPbI3. When doped with low-concentration Ge, the band gap of the material was found to reduce by 0.7% to 3.8%. Finally, from the absorption spectrum, it can be seen that the absorption coefficients of CsPbI3 and CsGeI3 are close to 6×105 cm-1, and the absorption peak of CsPbI3 is approximately 350 nm and that of CsGeI3 is approximately 410 nm. However, the absorption coefficient of CsSnI3 is close to 4.75×105 cm-1, and the absorption peak is approximately 350 nm.

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    Dengqi Zhang, Hanmin Tian, Quanmin He, Xiaoya Song, Wenfang Liu, Yuerong Wang. Electronic and Optical Properties of Low-Concentration Ge Doping and Substitution of Sn and Ge for CsPbI3[J]. Laser & Optoelectronics Progress, 2023, 60(15): 1516002

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    Paper Information

    Category: Materials

    Received: May. 16, 2022

    Accepted: Jul. 7, 2022

    Published Online: Aug. 11, 2023

    The Author Email: Tian Hanmin (tianhanmin@hebut.edu.cn)

    DOI:10.3788/LOP221606

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