The electronic, optical and structural properties of Cs 2 AgXY 6 (X= Bi, In; Y= Cl, Br), were
investigated under external pressure (0–50 GPa) using the full potential density functional
theory. In this study, the Tran–Blaha modified Becke–Johnson (TB-mBJ) functional was used
to evaluate the electronic and optical properties of the double perovskites, and the GGA-
PBEsol functional was used to examine the structural properties. The formation energy and
tolerance factor predict the stability of these compounds. With increasing pressure, the lattice …

6 (X= Bi, In; Y= Cl, Br), were investigated under external pressure (0–50 GPa) using the full
potential density functional theory. In this study, the Tran–Blaha modified Becke–Johnson
(TB-mBJ) functional was used to evaluate the electronic and optical properties of the double
perovskites, and the GGA-PBEsol functional was used to examine the structural properties.
The formation energy and tolerance factor predict the stability of these compounds. With
increasing pressure, the lattice parameters and unit cell volume of these compounds …