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Theory of Interfaces in Wide-Gap Nitrides

  • M. Buongiorno Nardelli (a1), K. Rapcewicz (a1), E. L. Briggs (a1), C. Bungaro (a1) and J. Bernholc (a1)...


The results of theoretical studies of the bulk and interface properties of nitrides are presented. As a test the bulk properties, including phonons of GaN at the Γ-point, are calculated and found to be in excellent agreement with the experimental data. At interfaces, the strain effects on the band offsets range from 20% to 40%, depending on the substrate. The AlN/GaN/InN interfaces are all of type I, while the Al0.5Ga0.5N on A1N zinc-blende (001) interface is of type II. Further, an interface similar to those used in the recent blue laser diodes is of type I and does not have any electronically active interface states. The valence band-offset in the (0001) GaN on A1N interface is -0.57 eV and the conduction band-offset is 1.87 eV.



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Theory of Interfaces in Wide-Gap Nitrides

  • M. Buongiorno Nardelli (a1), K. Rapcewicz (a1), E. L. Briggs (a1), C. Bungaro (a1) and J. Bernholc (a1)...


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