Strain-induced bandgap engineering in CsGeX<sub>3</sub> (X = I, Br or Cl) perovskites: insights from first-principles calculations
Guangbiao XiangShandong Provincial Key Laboratory of Optics and Photonic Device, Collaborative Innovation Center of Light Manipulations and Applications, School of Physics and Electronics, Shandong Normal University, Jinan 250014, ChinaYanwen WuShandong Provincial Key Laboratory of Optics and Photonic Device, Collaborative Innovation Center of Light Manipulations and Applications, School of Physics and Electronics, Shandong Normal University, Jinan 250014, ChinaMan ZhangShandong Provincial Key Laboratory of Optics and Photonic Device, Collaborative Innovation Center of Light Manipulations and Applications, School of Physics and Electronics, Shandong Normal University, Jinan 250014, ChinaJiancai LengInternational School for Optoelectronic Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan 250353, ChinaCheng ChenShandong Provincial Key Laboratory of Optics and Photonic Device, Collaborative Innovation Center of Light Manipulations and Applications, School of Physics and Electronics, Shandong Normal University, Jinan 250014, ChinaHong MaShandong Provincial Key Laboratory of Optics and Photonic Device, Collaborative Innovation Center of Light Manipulations and Applications, School of Physics and Electronics, Shandong Normal University, Jinan 250014, China
2022en
ABI
Abstract
The electronic structures, DOSs, carrier transport properties, and optical properties of CsGeX 3 (X = I, Br or Cl) perovskites under triaxial strains of −4% to 4% were investigated based on density functional theory.
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