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First Principles Phase Diagram Calculations for the Wurtzite-Structure Systems AlN-GaN, AlN-InN and GaN-InN
Published
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.
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 October 10, 2024)