Oxidation of nitride surfaces and its effect on device performance

ORAL

Abstract

Using computational methods based on density functional theory and Schr\"{o}dinger-Poisson simulations, we investigate atomistic and electronic structures of oxidized GaN and AlN (0001) surfaces and their effects on the two-dimensional electron gas (2DEG) at AlGaN/GaN heterojunctions. Numerous structures with different oxide coverage and different stoichiometry are examined, and their stability is interpreted in terms of driving mechanisms such as the electron counting rule and oxide-stoichiometry matching. We discuss which structures are likely to form under a variety of oxidation conditions, and show that these structures explain the observed dependence of electron density on thickness and variations of surface barrier height. The surface donor states with distributed and finite density are implemented in Schr\"{o}dinger-Poisson simulations of AlGaN/GaN high electron mobility transistors (HEMTs). The recent experimental observations of an increasing surface barrier height with increasing AlGaN thickness are fit very well by simulations including surface donor levels represented by a constant density of states (DOS) with a density on the order of 10$^{13}$ cm$^{-2}$eV$^{-1}$. The highest occupied surface states are found to be around 1 eV below the conduction-band minimum, which is in good agreement with the first-principles results.

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Authors

  • Andreas Bill

    Photonics CoE, Sciprint.org, LLNL, OSU, Imperial College London, General Atomis, UCSD, University of Milan, Instituto Superior Technico, University of Alberta, US Dept. of Agriculture, Agriculture Research Service, Parlier, CA, Dept. of Chemistry, California State University, Fresno, Dept. of Physics, California State University, Fresno, Weizmann Institute of Science, Stanford University, University of Connecticut, Storrs, UC Irvine, University of Missouri-Kansas City, California Institute of Technology, Ulm University, TU Darmstadt, UC Berkeley, GSFC, University of Regenberg, Germany, Lawrence Livermore National Laboratory, Clarendon Laboratory, Oxford, University of California, Los Angeles, Gesellschaft fuer Schwerionenforschung (GSI), Laboratoire pour l'Utilisation des Lasers Intenses, PSFC, MIT, University of California, Santa Barbara, Process Measurements Division, National Institute of Standards and Technology, Gaithersburg, MD, Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA, Division of Chemistry, California Institute of Technology, Pasadena, CA, Department of Physics, Fars Science and Research Center, Islamic Azad University, Texas A\&M University-Commerce, California State University, Long Beach, Materials Department, University of California Santa Barbara

  • Andreas Bill

    Photonics CoE, Sciprint.org, LLNL, OSU, Imperial College London, General Atomis, UCSD, University of Milan, Instituto Superior Technico, University of Alberta, US Dept. of Agriculture, Agriculture Research Service, Parlier, CA, Dept. of Chemistry, California State University, Fresno, Dept. of Physics, California State University, Fresno, Weizmann Institute of Science, Stanford University, University of Connecticut, Storrs, UC Irvine, University of Missouri-Kansas City, California Institute of Technology, Ulm University, TU Darmstadt, UC Berkeley, GSFC, University of Regenberg, Germany, Lawrence Livermore National Laboratory, Clarendon Laboratory, Oxford, University of California, Los Angeles, Gesellschaft fuer Schwerionenforschung (GSI), Laboratoire pour l'Utilisation des Lasers Intenses, PSFC, MIT, University of California, Santa Barbara, Process Measurements Division, National Institute of Standards and Technology, Gaithersburg, MD, Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA, Division of Chemistry, California Institute of Technology, Pasadena, CA, Department of Physics, Fars Science and Research Center, Islamic Azad University, Texas A\&M University-Commerce, California State University, Long Beach, Materials Department, University of California Santa Barbara

  • Andreas Bill

    Photonics CoE, Sciprint.org, LLNL, OSU, Imperial College London, General Atomis, UCSD, University of Milan, Instituto Superior Technico, University of Alberta, US Dept. of Agriculture, Agriculture Research Service, Parlier, CA, Dept. of Chemistry, California State University, Fresno, Dept. of Physics, California State University, Fresno, Weizmann Institute of Science, Stanford University, University of Connecticut, Storrs, UC Irvine, University of Missouri-Kansas City, California Institute of Technology, Ulm University, TU Darmstadt, UC Berkeley, GSFC, University of Regenberg, Germany, Lawrence Livermore National Laboratory, Clarendon Laboratory, Oxford, University of California, Los Angeles, Gesellschaft fuer Schwerionenforschung (GSI), Laboratoire pour l'Utilisation des Lasers Intenses, PSFC, MIT, University of California, Santa Barbara, Process Measurements Division, National Institute of Standards and Technology, Gaithersburg, MD, Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA, Division of Chemistry, California Institute of Technology, Pasadena, CA, Department of Physics, Fars Science and Research Center, Islamic Azad University, Texas A\&M University-Commerce, California State University, Long Beach, Materials Department, University of California Santa Barbara

  • Andreas Bill

    Photonics CoE, Sciprint.org, LLNL, OSU, Imperial College London, General Atomis, UCSD, University of Milan, Instituto Superior Technico, University of Alberta, US Dept. of Agriculture, Agriculture Research Service, Parlier, CA, Dept. of Chemistry, California State University, Fresno, Dept. of Physics, California State University, Fresno, Weizmann Institute of Science, Stanford University, University of Connecticut, Storrs, UC Irvine, University of Missouri-Kansas City, California Institute of Technology, Ulm University, TU Darmstadt, UC Berkeley, GSFC, University of Regenberg, Germany, Lawrence Livermore National Laboratory, Clarendon Laboratory, Oxford, University of California, Los Angeles, Gesellschaft fuer Schwerionenforschung (GSI), Laboratoire pour l'Utilisation des Lasers Intenses, PSFC, MIT, University of California, Santa Barbara, Process Measurements Division, National Institute of Standards and Technology, Gaithersburg, MD, Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA, Division of Chemistry, California Institute of Technology, Pasadena, CA, Department of Physics, Fars Science and Research Center, Islamic Azad University, Texas A\&M University-Commerce, California State University, Long Beach, Materials Department, University of California Santa Barbara