The study aims to assess the physical characteristics of Cs2CuLuY6 materials with respect to their structural, optoelectronic, and thermoelectric properties.
Utilized density functional theory (DFT) for material assessment
Analyzed tolerance factors for structural stability
Examined optoelectronic and thermoelectric properties under varying conditions
Identified favorable structural stability characteristics for both Y = Br and Y = I
Demonstrated promising optoelectronic properties applicable in sustainable technologies
Revealed significant thermo-mechanical properties that enhance material durability
Abstract
This research provides an in-depth thorough assessment of the physical characteristics of Cs 2 CuLuY 6 (Y = Br, I) materials with DFT. Structural stability was investigated by tolerance factor,...