Rational design of mixed Sn-Ge based hybrid halide perovskites for optoelectronic applications: a first principles study.

ABSTRACT: Here, we have investigated some mixed metal hybrid halide perovskite materials by employing first principle calculation method. In this regard we have designed some Sn and Ge based hybrid halide (iodide) perovskite materials incorporating dimethylammonium (DMA) organic cation and studied their structural, optoelectronic and photovoltaic properties. Observed tolerance factor (TF) and dihedral factor (μ) manifests that our studied compounds form stable three dimensional perovskite structure. Additionally, the observed negative value of formation energy indicates their thermodynamic stability. Calculated band gap values indicate the semiconducting nature of the compounds. We have also calculated the real and imaginary part of dielectric function as well as absorption coefficient of all

SUBMITTER: Chutia T 

PROVIDER: S-EPMC9450007 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature