Structural and optoelectronic properties of the inorganic perovskites AGeX3 (A = Cs, Rb; X = I, Br, Cl) for solar cell application

2018/10/05 by Un-Gi Jonga, Jonga, Un-Gi, Chol‐Jun Yu +9
Engineering · Materials Science · #Chalcogenide Semiconductor Thin Films #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Perovskite Materials and Applications #Solid-state spectroscopy and crystallography

paper · pdf · doi:10.48550/arxiv.1810.02543

openalex publication_date 2018/10/05 · openalex created_date 2018/10/12 · openalex updated_date 2026/07/28

Abstract

We predict the structural, electronic and optic properties of the inorganic Ge-based halide perovskites AGeX3 (A = Cs, Rb; X = I, Br, Cl) by using first-principles method. In particular, absolute electronic energy band levels are calculated using two different surface terminations of each compound, reproducing the experimental band alignment.

Citations

• Generalized Gradient Approximation Made Simple

Related

• A First-principles study on ABBr3 (A = Cs, Rb, K, Na; B = Ge, Sn) halide perovskites for photovoltaic applications
• Unlocking the Optoelectronic Potential of AGeX₃ (A = Ca, Sr, Ba; X = S, Se): A Sustainable Alternative in Chalcogenide Perovskites
• Halide perovskites: third generation photovoltaic materials empowered by metavalent bonding
• Optoelectronic properties and performance optimization for photovoltaic applications of R3m-RbGeX₃ (X = Cl, Br, I) perovskites: A combined DFT and SCAPS-1D study
• Orbital-Energy Splitting in Anion Ordered Ruddlesden-Popper Halide Perovskites for Tunable Optoelectronic Applications