Browsing First Principles Phase Stability (FPPS) Files by Author "kattner, Ursula"
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First principles phase diagram calculations for the wurtzite-structure systems AlN-GaN, GaN-InN, and AlN-InN
Burton, Bejnamin P.; van de Walle, Axel; kattner, Ursula (2014-11-20)First principles phase diagram calculations were performed for the wurtzite-structure quasibinary systems AlN–GaN, GaN–InN, and AlN–InN. Cluster expansion Hamiltonians that excluded, and included, excess vibrational ...