A pressure tunable optical and thermoelectric properties of Rb2CuSbX6 (X= cl, Br, and I) by FPLAPW+ lo method

SH Shah, P Song, T Huang, S Shakeel, S Khan… - Computational …, 2024 - Elsevier
The pressure dependencies of the structural, electrical, elastic, optical, and thermoelectric
characteristics of the Halide double perovskites (HDPs) Rb 2 CuSbX 6 (X= Cl, Br, and I)
compounds were computed using the FP-LAPW method within the density functional theory
framework, under high pressure conditions. HDPs received a lot of attention due to their
potential application in optoelectronic and thermoelectric devices. The Perdew-Burke-
Ernzerhof (PBEsol-GGA) is used to investigate the structural properties of selected …
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