Abstract
Atomistic simulations were performed to investigate the lattice parameters, dielectric constant, and elastic constants of Y3(GaxAl5−x)O12 (x = 1, 2, 3, 4, 5) structures. The calculated lattice parameters and elastic constants are in good agreement with those in available experimental results. The pressure dependence of all studied quantities was investigated. In general, a change in the behavior of all studied quantities is found when the Ga concentration becomes more than that of the aluminum (Al) in Y3(GaxAl5−x)O12 (x = 1, 2, 3, 4, 5) structures.
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