Polarization engineering with novel nitride heterostructures from first principles

ORAL

Abstract

Novel heterostructures based on II-IV-nitride semiconductors in combination with the widely used III-nitrides are being explored due to the ability to access a wide range of band offsets and polarization charges at the interface. The polarization charges arise from contributions due to spontaneous and piezoelectric polarization. Exploiting polarization requires a systematic methodology for evaluating the polarization properties and band alignments for a variety of materials and their heterostructures. We study the spontaneous and piezoelectric polarization of the II-IV-nitrides using density functional theory with a hybrid functional. To determine band offsets we use surface calculations as well as alignments based on the electronic level of interstitial hydrogen. We use our results to explore II-IV-nitride/III-nitride heterostructures that give rise to low polarization fields, which is favorable for light emitters.

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Presenters

  • Nicholas Adamski

    University of California, Santa Barbara

Authors

  • Nicholas Adamski

    University of California, Santa Barbara

  • Darshana Wickramaratne

    NRC Research Associate residing at, US Naval Research Laboratory, Washington, DC 20375, USA, Naval Research Laboratory, Materials Department, University of California, Santa Barbara, University of California, Santa Barbara

  • Chris Van de Walle

    University of California, Santa Barbara, Materials Department, University of California, Santa Barbara, University of California, Santa Barbara, CA 93106, USA