Advanced Electronic Structure Methods for Defects in Semiconductors and Insulators

Presentations

• Defects levels and band alignments at semiconductor-oxide interfaces through the use of hybrid functionals

  COFFEE_KLATCH · Invited

  March 16, 2010, 2:15 PM – March 16, 2010, 2:51 PM

  Authors

  • Alfredo Pasquarello

    Institute of Theoretical Physics, Ecole Polytechnique Federale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland

  View abstract →

• Defect Physics without the Band-Gap Problem: Combining DFT and \textit{GW}

  COFFEE_KLATCH · Invited

  March 16, 2010, 2:51 PM – March 16, 2010, 3:27 PM

  Authors

  • Patrick Rinke

    University of California at Santa Barbara, Materials Department, UC Santa Barbara

  View abstract →

• Quantum Monte Carlo calculations for point defects in semiconductors

  COFFEE_KLATCH · Invited

  March 16, 2010, 3:27 PM – March 16, 2010, 4:03 PM

  Authors

  • Richard Hennig

    Cornell University, Department of Materials Science and Engineering, Cornell University

  View abstract →

• Charged defects in the supercell approach

  COFFEE_KLATCH · Invited

  March 16, 2010, 4:03 PM – March 16, 2010, 4:39 PM

  Authors

  • Christoph Freysoldt

    Max-Planck-Institut fuer Eisenforschung, Duesseldorf, Germany

  View abstract →

• Applications of LSDA+U to defects in semiconductors and calculation of magnetic exchange interactions

  COFFEE_KLATCH · Invited

  March 16, 2010, 4:39 PM – March 16, 2010, 5:15 PM

  Authors

  • Walter Lambrecht

    Case Western Reserve University

  View abstract →