Pressure dependence of dielectric constant, elastic constants, and lattice parameters of the Y3(Ga,Al)5O12 host

• Simulations are used to investigate the physical properties of Y3(GaxAl5-x)O12 host.
• The lattice and physical properties were linearly dependent on the pressure.
• The properties were affected by the Ga concentration in the Y3Al5O12 host.
• A change of behavior on all quantities is found when the Ga concentration changes.

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.