Effect of position occupancy of different elements on the structural stability, optoelectronic, thermoelectric and elastic properties of Cs2CuAsX6 (X: Cl, Br, I) halide double perovskite: DFT analysis

• DOI: 10.1016/j.mssp.2024.108187
• Publication Date: 2024-02-17T17:19:36Z
• Authors: M. Qasim Shah; Maleeha Shafiq; Azhar Naeem; Ghulam Murtaza; Ahmad Ayyaz; Ahmad Usman; Shabana Maher Deen; Mohamed A. El-Sheikh
• Keywords: WIEN2k; Lattice constant; Boltzmann constant