First-principles modeling of excited-state phenomena in materials III: GW+BSE for Polarons and Optical Excitations

Presentations

• Polarons from first principles

  Invited

  March 2, 2020, 2:30 PM – March 2, 2020, 3:06 PM

  Presenters

  • Feliciano Giustino

    • University of Texas at Austin
    • Physics, University of Texas at Austin

  Authors

  • Feliciano Giustino

    • University of Texas at Austin
    • Physics, University of Texas at Austin

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• Theory and First-Principle Calculation of Photoemission Spectra from Optically Excited States

  ORAL

  March 2, 2020, 3:06 PM – March 2, 2020, 3:18 PM

  Presenters

  • Ting Cao

    • University of Washington
    • Department of Physics, University of California at Berkeley and Lawrence Berkeley National Laboratory
    • Physics, University of Washington
    • Department of Materials Science and Engineering, University of Washington and Geballe Laboratory for Advanced Materials, Stanford University

  Authors

  • Ting Cao

    • University of Washington
    • Department of Physics, University of California at Berkeley and Lawrence Berkeley National Laboratory
    • Physics, University of Washington
    • Department of Materials Science and Engineering, University of Washington and Geballe Laboratory for Advanced Materials, Stanford University

  • Keshav M Dani

    • Femtosecond Spectroscopy Unit, Okinawa Institute of Science and Technology Graduate University

  • Tony F Heinz

    • Stanford Univ
    • Applied Physics and Photon Science, Stanford University
    • Department of Applied Physics, Stanford University and SLAC National Accelerator Laboratory

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• First Principles Studies of Photoluminescence of Functional Materials

  ORAL

  March 2, 2020, 3:18 PM – March 2, 2020, 3:30 PM

  Presenters

  • Yu Jin

    • Department of Chemistry, University of Chicago

  Authors

  • Yu Jin

    • Department of Chemistry, University of Chicago

  • Marco Govoni

    • Materials Science Division, Argonne National Laboratory
    • Materials Science Division and Center for Molecular Engineering, Argonne National Laboratory
    • Argonne National Laboratory
    • Argonne National Lab
    • Argonne Natl Lab

  • Giulia Galli

    • University of Chicago
    • Pritzker School of Molecular Engineering, University of Chicago
    • Pritzker School of Molecular Engineering, University of Chicago, Chicago, IL 60637, USA
    • University of Chicago and Argonne National Laboratory
    • Pritzker School of Molecular Engineering, The University of Chicago

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• Deep ultraviolet luminescence and charge-transfer excitons in atomically thin GaN quantum wells

  ORAL

  March 2, 2020, 3:30 PM – March 2, 2020, 3:42 PM

  Presenters

  • Woncheol Lee

    • Univ of Michigan - Ann Arbor

  Authors

  • Woncheol Lee

    • Univ of Michigan - Ann Arbor

  • Dylan Bayerl

    • Univ of Michigan - Ann Arbor

  • Nocona Sanders

    • University of Michigan
    • Univ of Michigan - Ann Arbor

  • Zihao Deng

    • Univ of Michigan - Ann Arbor

  • Emmanouil Kioupakis

    • Univ of Michigan - Ann Arbor
    • University of Michigan

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• Analysis of diagonal <i>G</i> and subspace <i>W</i> approximations within fully self-consistent <i>GW</i> calculations for bulk semiconducting systems

  ORAL

  March 2, 2020, 3:42 PM – March 2, 2020, 3:54 PM

  Presenters

  • Yashpal Singh

    • Lawrence Berkeley National Laboratory

  Authors

  • Yashpal Singh

    • Lawrence Berkeley National Laboratory

  • Lin-Wang Wang

    • Materials Science Division, Lawrence Berkeley National Laboratory
    • Lawrence Berkeley National Laboratory

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• Spin-wave dispersion of Cu₂MnAl, Ni₂MnSn, and Pd₂MnSn based on quasi-particle self-consistent <i>GW</i> method

  ORAL

  March 2, 2020, 3:54 PM – March 2, 2020, 4:06 PM

  Presenters

  • Haruki Okumura

    • Osaka University

  Authors

  • Haruki Okumura

    • Osaka University

  • Kazunori Sato

    • Graduate School of Engineering, Osaka University
    • Division of Materials and Manufacturing Science, Osaka University
    • Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University
    • Osaka University

  • Takao Kotani

    • Department Applied Physics and Mathematics, Faculty of Engineering, Tottori University
    • Department of Applied Mathematics and Physics, Tottori University
    • Tottori University

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• Self-consistent GW method for solids: efficient implementation

  ORAL

  March 2, 2020, 4:06 PM – March 2, 2020, 4:18 PM

  Presenters

  • Andrey Kutepov

    • Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory

  Authors

  • Andrey Kutepov

    • Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory

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• Systematic QSGW calculations on the electronic structure of rare-earth nitrides

  ORAL

  March 2, 2020, 4:18 PM – March 2, 2020, 4:30 PM

  Presenters

  • Kazunori Sato

    • Graduate School of Engineering, Osaka University
    • Division of Materials and Manufacturing Science, Osaka University
    • Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University
    • Osaka University

  Authors

  • Kazunori Sato

    • Graduate School of Engineering, Osaka University
    • Division of Materials and Manufacturing Science, Osaka University
    • Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University
    • Osaka University

  • Takao Kotani

    • Department Applied Physics and Mathematics, Faculty of Engineering, Tottori University
    • Department of Applied Mathematics and Physics, Tottori University
    • Tottori University

  • Katsuhiro Suzuki

    • Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University
    • Graduate School of Engineering, Osaka University

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• Jigsaw Puzzle Orbitals for Electronic Structure

  ORAL

  March 2, 2020, 4:30 PM – March 2, 2020, 4:42 PM

  Presenters

  • Mark Schilfgaarde

    • Physics, Kings College London
    • Kings College London
    • King’s College London

  Authors

  • Dimitar Pashov

    • Physics, Kings College London
    • Kings College London

  • Mark Schilfgaarde

    • Physics, Kings College London
    • Kings College London
    • King’s College London

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• First-principles Studies of Tl activated Scintillator Phosphor Materials: Towards an understanding of the Scintillation mechanism

  ORAL

  March 2, 2020, 4:42 PM – March 2, 2020, 4:54 PM

  Presenters

  • Andrew Canning

    • Lawrence Berkeley National Laboratory

  Authors

  • Andrew Canning

    • Lawrence Berkeley National Laboratory

  • Mauro Del Ben

    • Lawrence Berkeley National Laboratory

  • Jaroslaw Glodo

    • Radiation Monitoring Devices Inc.

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• Excitation Pathways in Resonant Inelastic X-ray Scattering from Many-Body Perturbation Theory

  ORAL

  March 2, 2020, 4:54 PM – March 2, 2020, 5:06 PM

  Presenters

  • Christian Vorwerk

    • Institut für Physik and IRIS Adlershof, Humboldt-Universität zu Berlin, Berlin, Germany

  Authors

  • Christian Vorwerk

    • Institut für Physik and IRIS Adlershof, Humboldt-Universität zu Berlin, Berlin, Germany

  • Francesco Sottile

    • LSI, Ecole Polytechnique,CNRS, CEA, Institut Polytechnique de Paris, Palaiseau, France

  • Claudia Draxl

    • Physics Department, Humboldt University Berlin
    • Institut für Physik and IRIS Adlershof, Humboldt-Universität zu Berlin, Berlin, Germany

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