Both moduli show a decreasing trend in going from Mg 3 AsBr 3 to Mg 3 BiBr 3 .
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Stability Analysis and Optoelectronic Properties of Mg<sub>3</sub>ZBr<sub>3</sub> (Z = As, Sb, Bi) Perovskites for Evaluating the Performance in PIN Photodiodes.
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The calculated Pugh’s ratios of 1.510 for Mg 3 AsBr 3 , 1.596 for Mg 3 SbBr 3 , and 1.597 for Mg 3 BiBr 3 suggest that all materials exhibit brittle characteristics, although the higher values indicate a slight trend toward increased ductility with increasing pnictogen size.
The elastic constants display a clear trend with all values decreasing in going from Mg 3 AsBr 3 to Mg 3 BiBr 3 , which can be attributed to the increasing atomic radius of the pnictogen element and the consequent expansion of the lattice parameters.