Published December 1, 2006
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Journal Article
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First principles phase diagram calculations for the wurtzite-structure systems AlN–GaN, GaN–InN, and AlN–InN
- Creators
- Burton, B. P.
- van de Walle, A.
- Kattner, U.
Abstract
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 contributions to the free energy, Fvib, were evaluated. Miscibility gaps are predicted for all three quasibinaries, with consolute points, (XC,TC), for AlN–GaN, GaN–InN, and AlN–InN equal to (0.50, 305 K), (0.50, 1850 K), and (0.50, 2830 K) without Fvib, and (0.40, 247 K), (0.50, 1620 K), and (0.50, 2600 K) with Fvib, respectively. In spite of the very different ionic radii of Al, Ga, and In, the GaN–InN and AlN–GaN diagrams are predicted to be approximately symmetric.
Additional Information
©2006 American Institute of Physics. (Received 7 February 2006; accepted 14 September 2006; published online 13 December 2006)Files
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- 7343
- Resolver ID
- CaltechAUTHORS:BURjap06
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