Optoelectronic and thermoelectric properties of Zintl YLi<sub>3</sub><italic>A</italic><sub>2</sub> (<italic>A</italic> = Sb, Bi) compounds through modified Becke

Optoelectronic and thermoelectric properties of Zintl YLi₃A₂ (A = Sb, Bi) compounds through modified Becke–Johnson potential

Seddik T^{1, †,}, Uğur G², Khenata R^{1, ‡,}, Uğur Ş², Soyalp F³, Murtaza G⁴, Rai D P⁵, Bouhemadou A⁶, Bin Omran S⁷

Calculated band structures along some high symmetry lines in the Brillouin zone within the GGA, LDA/GGA-TB-mBJ with and without spin–orbit coupling approximations of (a) YLi₃Sb₂ and (b) YLi₃Bi₂ compounds.