First Principles Phase Diagram Calculations for the Wurtzite-Structure Systems AlN-GaN, AlN-InN and GaN-InN

Published

December 1, 2006

Author(s)

A Van de Walle, Benjamin P. Burton, Ursula R. Kattner

Abstract

Because of their wide direct band-gaps, and excellent mechanical properties [1], wurtzite structure AlN (6.28 eV, [2]), GaN (3.5 eV, [3]) and InN (1.89 eV [4], 0.7 eV [5]) are widely used as components of light emitting diodes. Alloying, is used to tune band gaps for desired wavelengths of emitted light, but unmixing in GaN-InN and AlN-InN [6-9] limits the range of homogeneous alloys that can be synthesized, and therefore the accessible range of emitted colors. This problem stimulated interest in the mixing properties of all three systems, but to date, none of the equilibrium quasibinary phase diagrams has been determined experimentally, either for bulk samples or for thin films.

Citation

Journal of Applied Physics

Volume

100

Issue

11

Pub Type

Journals

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Keywords

III-V nitrides

Citation

Van de Walle, A. , Burton, B. and Kattner, U. (2006), First Principles Phase Diagram Calculations for the Wurtzite-Structure Systems AlN-GaN, AlN-InN and GaN-InN, Journal of Applied Physics, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=850938 (Accessed April 23, 2024)