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First-principles calculations were performed to compare the relative stability and high-pressure behavior of four different GaAsO 4  polymorphs: the ordinary-pressure phase (berlinite, α-quartzlike) and three high-pressure phases: the β -VCrO 4 -like, the rutile-like and a new hexagonal form, recently discovered and related to rutile.

A Comparative Study of GaAsO 4 Polymorphs: ab initio Calculations on High-pressure Forms