First-principles Modeling of Excited-State Phenomena in Materials VI: Solids and Layered Materials

FOCUS · H29

Presentations

  • New Insights into Single- and Multi-Exciton Phenomena in Complex Materials from Ab Initio Many-Body Perturbation Theory

    Invited

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    Presenters

    • Sivan Refaely-Abramson

      Department of Physics, UC Berkeley; Molecular Foundry, LBNL, Dept. of Materials and Interfaces, Weizmann Institute of Science, Lawrence Berkeley National Laboratory, Lawrence Berkeley National Lab and University of California - Berkeley

    Authors

    • Sivan Refaely-Abramson

      Department of Physics, UC Berkeley; Molecular Foundry, LBNL, Dept. of Materials and Interfaces, Weizmann Institute of Science, Lawrence Berkeley National Laboratory, Lawrence Berkeley National Lab and University of California - Berkeley

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  • GW and GW-BSE Methods with Broken Time Reversal Symmetry and Their Applications in Magnetic Systems

    ORAL

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    Presenters

    • Meng Wu

      Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Physics Department, University of California Berkeley and Lawrence Berkeley National Lab, Physics Department, UC Berkeley and Lawrence Berkeley National Lab

    Authors

    • Meng Wu

      Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Physics Department, University of California Berkeley and Lawrence Berkeley National Lab, Physics Department, UC Berkeley and Lawrence Berkeley National Lab

    • Zhenglu Li

      Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Physics Department, University of California Berkeley and Lawrence Berkeley National Lab

    • Steven Louie

      Physics, University of California, Berkeley, University of California, Berkeley, Physics, Univ of California - Berkeley, Univ of California - Berkeley, Physics, UC Berkeley, Physics Department, UC Berkeley and Lawrence Berkeley National Lab, Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Department of Physics, University of California, Berkeley, Physics Department, University of California Berkeley and Lawrence Berkeley National Lab, Department of physics, University of California - Berkeley, Lawrence Berkeley National Lab and University of California - Berkeley, Materials Sciences Division, Lawrence Berkeley National Laboratory & Department of Physics, University of California at Berkeley, UC Berkeley and Lawrence Berkeley National Lab, Physics, University of California - Berkeley

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  • Ordering of the Γ<sub>6</sub>, Γ<sub>7</sub>, and Γ<sub>8 </sub>States, the Band Gap, and the Electron Effective Mass in β-HgS via <i>GW C</i>alculations

    ORAL

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    Presenters

    • Bradford Barker

      Department of Physics, University of California, Berkeley, Univ of California - Berkeley

    Authors

    • Bradford Barker

      Department of Physics, University of California, Berkeley, Univ of California - Berkeley

    • Steven Louie

      Physics, University of California, Berkeley, University of California, Berkeley, Physics, Univ of California - Berkeley, Univ of California - Berkeley, Physics, UC Berkeley, Physics Department, UC Berkeley and Lawrence Berkeley National Lab, Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Department of Physics, University of California, Berkeley, Physics Department, University of California Berkeley and Lawrence Berkeley National Lab, Department of physics, University of California - Berkeley, Lawrence Berkeley National Lab and University of California - Berkeley, Materials Sciences Division, Lawrence Berkeley National Laboratory & Department of Physics, University of California at Berkeley, UC Berkeley and Lawrence Berkeley National Lab, Physics, University of California - Berkeley

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  • Layer-resolved optical absorption in single-inorganic layer π-conjugated 2D hybrid perovskites from first principles

    ORAL

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    Presenters

    • Joshua Leveillee

      Materials Science and Engineering, University of Illinois, Urbana-Champaign

    Authors

    • Joshua Leveillee

      Materials Science and Engineering, University of Illinois, Urbana-Champaign

    • Amanda J. Neukirch

      Physics and Chemistry of Materials, Los Alamos National Laboratory, Los Alamos National Laboratory

    • Andre Schleife

      University of Illinois at Urbana-Champaign, Materials Science and Engineering, Univ of Illinois - Urbana, Materials Science and Engineering, University of Illinois, Urbana-Champaign, Materials Science and Engineering, University of Illinois - Urbana, Department of Materials Science and Engineering, University of Illinois, Univ of Illinois at Urbana-Champaign, University of Illinois, University of Illinois at Urbana–Champaign

    • Sergei Tretiak

      Los Alamos Natl Lab, Los Alamos National Lab, Los Alamos National Laboratory, Physics and Chemistry of Materials, Los Alamos National Laboratory

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  • Optical properties of layered non-equilibrium ZnO from first principles

    ORAL

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    Presenters

    • Xiao Zhang

      Mechanical Science and Engineering, Univ. of Illinois-Urbana

    Authors

    • Xiao Zhang

      Mechanical Science and Engineering, Univ. of Illinois-Urbana

    • Andre Schleife

      University of Illinois at Urbana-Champaign, Materials Science and Engineering, Univ of Illinois - Urbana, Materials Science and Engineering, University of Illinois, Urbana-Champaign, Materials Science and Engineering, University of Illinois - Urbana, Department of Materials Science and Engineering, University of Illinois, Univ of Illinois at Urbana-Champaign, University of Illinois, University of Illinois at Urbana–Champaign

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  • Ab Initio Radiative Lifetimes in Gallium Nitride

    ORAL

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    Presenters

    • Vatsal Jhalani

      Caltech

    Authors

    • Vatsal Jhalani

      Caltech

    • Hsiao-Yi Chen

      Caltech

    • Maurizia Palummo

      Dipartimento di Fisica and INFN, Universit di Roma Tor Vergata via della Ricerca Scientifica, Physics, University of Rome

    • Marco Bernardi

      Caltech, Department of Applied Physics and Materials Science, California Institute of Technology, Applied Physics and Materials Science, California Institute of Technology, Department of Applied Physics and Materials Science, Steele Laboratory, California Institute of Technology, Applied Physics and Materials Science, Caltech

    View abstract →

  • First Principles Analysis on the Excitonic Properties of MoS<sub>2</sub>/WS<sub>2</sub> and MoSe<sub>2</sub>/WSe<sub>2</sub> Heterobilayers

    ORAL

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    Presenters

    • Engin Torun

      Physics and Materials Science Research Unit, University of Luxembourg

    Authors

    • Engin Torun

      Physics and Materials Science Research Unit, University of Luxembourg

    • Alejandro Molina-Sanchez

      Materials Science Institute, University of Valencia, Institute of Materials Science, University of Valencia, Institute of Materials Science (ICMUV), University of Valencia, University of Valencia

    • Henrique Miranda

      Physics and Materials Science Research Unit, University of Luxembourg, IMCN, Université Catholique de Louvain, Institute of Condensed Matter and Nanosciences, Université catholique de Louvain, University of Luxembourg

    • Ludger Wirtz

      Physics and Materials Science Research Unit, University of Luxembourg, University of Luxembourg Limpertsberg, University of Luxembourg

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  • Picosecond Electronic and Structural Dynamics in Photoexcited Monolayer MoSe<sub>2</sub>

    ORAL

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    Presenters

    • Lindsay Bassman

      University of Southern California, Physics, University of Southern California

    Authors

    • Lindsay Bassman

      University of Southern California, Physics, University of Southern California

    • Aravind Krishnamoorthy

      Physics & Astronomy, University of Southern California, Univ of Southern California, Physics, University of Southern California, University of Southern California

    • Rajiv Kalia

      Univ of Southern California, Physics & Astronomy, University of Southern California, University of Southern California, Mork Family Department of Chemical Engineering and Materials Science, Univ of Southern California, Collaboratory of Advanced Computing and Simulations, Univ of Southern California, Collaboratory for Advanced Computing and Simulations, University of Southern California, Physics, University of Southern California

    • Aiichiro Nakano

      Univ of Southern California, Physics & Astronomy, University of Southern California, University of Southern California, Mork Family Department of Chemical Engineering and Materials Science, Univ of Southern California, Collaboratory of Advanced Computing and Simulations, Univ of Southern California, Physics, University of Southern California

    • Priya Vashishta

      Univ of Southern California, Physics & Astronomy, University of Southern California, University of Southern California, Mork Family Department of Chemical Engineering and Materials Science, Univ of Southern California, Collaboratory of Advanced Computing and Simulations, Univ of Southern California, Collaboratory for Advanced Computing and Simulations, University of Southern California, Physics, University of Southern California

    • Hiroyuki Kumazoe

      Physics, Kumamoto University, University of Southern California

    • Masaaki Misawa

      Physics, Kumamoto University

    • Fuyuki Shimojo

      Physics, Kumamoto University, Kumamoto University, Department of Physics, Kumamoto University

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  • Simulation of ultrafast spin and valley dynamics in two-dimensional materials

    ORAL

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    Presenters

    • Alejandro Molina-Sanchez

      Materials Science Institute, University of Valencia, Institute of Materials Science, University of Valencia, Institute of Materials Science (ICMUV), University of Valencia, University of Valencia

    Authors

    • Alejandro Molina-Sanchez

      Materials Science Institute, University of Valencia, Institute of Materials Science, University of Valencia, Institute of Materials Science (ICMUV), University of Valencia, University of Valencia

    • Davide Sangalli

      Division of Ultrafast Processes in Materials (FLASHit), CNR-ISM, Division of Ultrafast Processes in Materials, Istituto di Struttura della Materia of the National Research Council

    • Stefano Dal Conte

      Physics Department, Politecnico Milano

    • Giulio Cerullo

      Physics Department, Politecnico Milano

    • Ludger Wirtz

      Physics and Materials Science Research Unit, University of Luxembourg, University of Luxembourg Limpertsberg, University of Luxembourg

    • Andrea Marini

      Istituto di Struttura della Materia of the National Research Council, Italy, Division of Ultrafast Processes in Materials, Istituto di Struttura della Materia of the National Research Council

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  • <i>Ab Initio </i>Carrier Dynamics in Twisted 2D Heterostructures

    ORAL

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    Presenters

    • Christopher Ciccarino

      Department of Chemistry and Chemical Biology, Harvard University

    Authors

    • Christopher Ciccarino

      Department of Chemistry and Chemical Biology, Harvard University

    • Ravishankar Sundararaman

      Department of Materials Science and Engineering, Rensselaer Polytechnic Institute (RPI), Materials Science and Engineering, Rensselaer Polytechnic Institute

    • Prineha Narang

      John A. Paulson School of Engineering and Applied Sciences, Harvard University

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  • Ab Initio Radiative Lifetimes and Angular Dependence of the Photoluminescence in Two-Dimensional Transition Metal Dichalcogenides

    ORAL

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    Presenters

    • Hsiao-Yi Chen

      Department of Physics, California Institute of Technology

    Authors

    • Hsiao-Yi Chen

      Department of Physics, California Institute of Technology

    • Maurizia Palummo

      Dipartimento di Fisica and INFN, Universit di Roma Tor Vergata via della Ricerca Scientifica, Physics, University of Rome

    • Davide Sangalli

      Division of Ultrafast Processes in Materials (FLASHit), CNR-ISM, Division of Ultrafast Processes in Materials, Istituto di Struttura della Materia of the National Research Council

    • Marco Bernardi

      Caltech, Department of Applied Physics and Materials Science, California Institute of Technology, Applied Physics and Materials Science, California Institute of Technology, Department of Applied Physics and Materials Science, Steele Laboratory, California Institute of Technology, Applied Physics and Materials Science, Caltech

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  • Atomic-like high-harmonic generation from two-dimensional materials

    ORAL

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    Presenters

    • Nicolas Tancogne-Dejean

      Max Planck Inst Structure & Dynamics of Matter

    Authors

    • Nicolas Tancogne-Dejean

      Max Planck Inst Structure & Dynamics of Matter

    • Angel Rubio

      Max Planck Inst Structure & Dynamics of Matter, Theory, Max Planck Inst Structure & Dynamics of Matter, University of the Basque Country, Theory department, Max Planck Institute for the Structure and Dynamics of Matter, Universidad del Pais Vasco, Strc Dyn of Matt, Max Plank Insititute, Theory, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Institute for the Structure and Dynamics of Matter

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