DFT study of novel K2SnGeX6 and Rb2SnGeX6 (X=Cl,Br,I) predicts cubic stability, direct bandgaps 0.64-1.44 eV, ductility, and ZT up to 2.4 at 1000 K for K2SnGeI6.
Borhan Uddin, Mirza Humaun Kabir Rubel, Soukaina Bouhmaidi, Arpon Chakraborty, M
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First-Principles Study of Novel Lead-Free Double Perovskite \b{eta}2SnGeX6 (\b{eta} = K, Rb; X = Cl, Br, I) for thermomechanical, optoelectronic and outstanding thermoelectric applications
DFT study of novel K2SnGeX6 and Rb2SnGeX6 (X=Cl,Br,I) predicts cubic stability, direct bandgaps 0.64-1.44 eV, ductility, and ZT up to 2.4 at 1000 K for K2SnGeI6.