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Showing 1 to 1 of 1 for “"COMSUBS"”.
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Mechanisms of the Wurtzite to Rock Salt Phase Transitions in Galium Nitride
… nitride ( GaN ). Using the mapping algorithm of COMSUBS we found 435 possible mechanisms for this transition. We then used FIREBALL to do density functional theory calculations and found enthalpy barrier heights for the transition pathway. We used this to determine the mechanisms that are the …