Strain-Driven Optical, Electronic, and Mechanical Properties of Inorganic Halide Perovskite CsGeBr3

被引:68
作者
Islam, Md Rasidul [1 ,2 ]
Mojumder, Md Rayid Hasan [3 ,4 ]
Moshwan, Raza [5 ]
Islam, A. S. M. Jannatul [3 ]
Islam, M. A. [6 ]
Rahman, Md Shizer [2 ]
Kabir, Md Humaun [7 ]
机构
[1] Chinese Acad Sci, Inst Semicond, Beijing Key Lab Low Dimens Semicond Mat & Devices, Key Lab Semicond Mat Sci, Beijing 100083, Peoples R China
[2] Bangamata Sheikh Fojilatunnesa Mujib Sci & Techno, Dept Elect & Elect Engn, Jamalpur 2012, Bangladesh
[3] Khulna Univ Engn & Technol, Dept Elect & Elect Engn, Khulna 9203, Bangladesh
[4] Daffodil Int Univ, Dept Elect & Elect Engn, Dhaka 1209, Bangladesh
[5] IUBAT Int Univ Business Agr & Technol, Dept Mech Engn, Dhaka 1230, Bangladesh
[6] Univ Barishal, Dept Phys, Barishal 8254, Bangladesh
[7] Bangamata Sheikh Fojilatunnesa Mujib Sci & Techno, Dept Comp Sci & Engn, Jamalpur 2012, Bangladesh
关键词
PRESSURE; APPROXIMATION; DEVICES;
D O I
10.1149/2162-8777/ac56c2
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Of late, inorganic perovskite material, especially the lead-free CsGeBr3, has gained considerable interest in the green photovoltaic industry due to its outstanding optoelectronic, thermal, and elastic properties. This work systematically investigated the strain-driven optical, electronic, and mechanical properties of CsGeBr3 through the first-principles density functional theory. The unstrained planar CsGeBr3 compound demonstrates a direct bandgap of 0.686 at its R-point. However, incorporating external biaxial tensile (compressive) strain can be tuned the bandgap lowering (increasing) to this perovskite. Moreover, due to the increase of tensile (compressive) strain, a red-shift (blue-shift) behavior of the absorption-coefficient and dielectric function is found in the photon energy spectrum. Strain-induced mechanical properties also reveal that CsGeBr3 perovskites are mechanically stable and highly malleable material and can be made suitable for photovoltaic applications. The strain-dependent optoelectronic and mechanical behaviors of CsGeBr3 explored here would benefit its future applications in optoelectronics and photovoltaic cells design.
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页数:10
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