Using the first-principles method based on density functional theory,we have studied the structural properties of GaN with wurtzite,zinc-blende and rocksalt structures and the phase transition of GaN under high pressure.According to the isoenthalpy principle,the phase transition pressure from zinc-blende structure to rocksalt structure of GaN is about 41.9 GPa,which is consistent with the experimental results and other theoretical results.Employing the quasi-harmonic Debye mode,we have calculated the relati...
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