Tuning band gap and enhancing optical functions of AGeF₃ (A = K, Rb) under pressure for improved optoelectronic applications.

ABSTRACT: The current study diligently analyzes the physical characteristics of halide perovskites AGeF₃ (A = K, Rb) under hydrostatic pressure using density functional theory. The goal of this research is to reduce the electronic band gap of AGeF₃ (A = K, Rb) under pressure in order to improve the optical characteristics and assess the compounds' suitability for optoelectronic applications. The structural parameters exhibit a high degree of precision, which correlates well with previously published work. In addition, the bond length and lattice parameters decrease significantly leading to a stronger interaction between atoms. The bonding between K(Rb)-F and Ge-F reveal ionic and covalent nature, respectively, and the bonds become stronger under pressure. The application of hyd

SUBMITTER: Alam MS 

PROVIDER: S-EPMC9126918 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature