Developments in First-Principles Computations of Defects in Condensed Matter

Presentations

• Effects of spin-orbit coupling and very large supercells on the description of acceptors in CdTe

  ORAL · Invited

  March 9, 2023, 3:00 PM – March 9, 2023, 3:36 PM

  Presenters

  • Anderson Janotti

    • University of Delaware

  Authors

  • Anderson Janotti

    • University of Delaware

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• Ab initio calculations of defects at surfaces

  ORAL · Invited

  March 9, 2023, 3:36 PM – March 9, 2023, 4:12 PM

  Presenters

  • Christoph Freysoldt

    • Max Planck Institute, Dusseldorf

  Authors

  • Christoph Freysoldt

    • Max Planck Institute, Dusseldorf

  • Richard G Hennig

    • University of Florida

  • Joerg Neugebauer

    • Max-Planck-Institut für Eisenforschung, Max-Planck-Straße

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• Computation-Guided Design And Discovery Of Dopable Thermoelectric Materials: How Well We Can Do And What Is Missing

  ORAL · Invited

  March 9, 2023, 4:12 PM – March 9, 2023, 4:48 PM

  Presenters

  • Elif Ertekin

    • University of Illinois at Urbana-Champaign
    • U Illinois
    • University of Illinois

  Authors

  • Elif Ertekin

    • University of Illinois at Urbana-Champaign
    • U Illinois
    • University of Illinois

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• First-principles study of surface kinetics in β-Ga2O3

  ORAL · Invited

  March 9, 2023, 4:48 PM – March 9, 2023, 5:24 PM

  Presenters

  • Mengen Wang

    • State University of New York at Binghamton

  Authors

  • Mengen Wang

    • State University of New York at Binghamton

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• First-principles calculations on quantum defects in silicon

  ORAL · Invited

  March 9, 2023, 5:24 PM – March 9, 2023, 6:00 PM

  Presenters

  • Péter Udvarhelyi

    • Wigner Research Centre for Physics

  Authors

  • Péter Udvarhelyi

    • Wigner Research Centre for Physics

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