Author(s): Islam, MR (Islam, Md Rasidul); Mojumder, MRH (Mojumder, Md Rayid Hasan); Moshwan, R (Moshwan, Raza); Islam, ASMJ (Islam, A. S. M. Jannatul); Islam, MA (Islam, M. A.); Rahman, MS (Rahman, Md Shizer); Kabir, MH (Kabir, Md Humaun)

Source: ECS JOURNAL OF SOLID STATE SCIENCE AND TECHNOLOGY Volume: 11 Issue: 3 Article Number: 033001 DOI: 10.1149/2162-8777/ac56c2 Published: MAR 1 2022

Abstract: 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.

Accession Number: WOS:000762053900001

Author Identifiers:

Author Web of Science ResearcherID ORCID Number

Islam, Md. Arif Ul 0000-0002-6857-4727

ISSN: 2162-8769

eISSN: 2162-8777

Full Text: https://iopscience.iop.org/article/10.1149/2162-8777/ac56c2