DFT insights of mechanical, optoelectronic and thermoelectric properties for Cs₂ScTlX₆ (X = Cl, Br, I) double perovskites

OPTICAL AND QUANTUM ELECTRONICS（2023）

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Key words

Double-perovskites,First-principles study,Opto-electronic property,Mechanical property,Thermoelectric behavior

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DFT insights of mechanical, optoelectronic and thermoelectric properties for Cs2ScTlX6 (X = Cl, Br, I) double perovskites