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Effects of Substrate Orientation on the Valence Band Splittings and Valence Band Offsets in GaN and AlN Films

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Abstract

We present a first-principles study of heteroepitaxial interfaces between GaN and both cubic as well as wurtzite AlN substrates oriented along main cubic or hexagonal directions and of stacking fault interfaces between cubic and wurtzite GaN. Our calculations show that all studied heterostructures are of type I. Valence band offsets for GaN/AlN are nearly independent of the substrate orientation and of the order of 0.8 eV. The valence and conduction band offsets for a stacking fault interface are predicted to be 40 meV and 175 meV, respectively.

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Acknowledgments

This work has been supported by the Deutsche Forschungsgemeinschaft (Project SFB 348) and the Bayerischer Forschungsverbund.

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Authors and Affiliations

  1. Walter Schottky Institute, Technical University of Munich, D-85748, Garching, Germany

    J. A. Majewski & M. Städele

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  1. J. A. Majewski
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  2. M. Städele
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Majewski, J.A., Städele, M. Effects of Substrate Orientation on the Valence Band Splittings and Valence Band Offsets in GaN and AlN Films. MRS Online Proceedings Library 482, 922–927 (1997). https://doi.org/10.1557/PROC-482-917

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  • DOI: https://doi.org/10.1557/PROC-482-917

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