F. Shen

First-Principles Study of Cs2TlCoX6 (X = I, Br): Structural Stability, Electronic, Elastic, and Optoelectronic Properties

Abstract In this study, density functional theory (DFT) is employed to investigate the structural, electronic, and optical properties of the double perovskites Cs2TlCoX6 (X = I, Br). The crystal structures of these materials are optimized to evaluate their structural stability. T...