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

Presentations

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

  Invited

  March 6, 2018, 2:30 PM – March 6, 2018, 3:06 PM

  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

  View abstract →

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

  ORAL

  March 6, 2018, 3:06 PM – March 6, 2018, 3:18 PM

  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 Γ₆, Γ₇, and Γ₈States, the Band Gap, and the Electron Effective Mass in β-HgS via <i>GW C</i>alculations

  ORAL

  March 6, 2018, 3:18 PM – March 6, 2018, 3:30 PM

  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

  March 6, 2018, 3:30 PM – March 6, 2018, 3:42 PM

  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

  View abstract →

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

  ORAL

  March 6, 2018, 3:42 PM – March 6, 2018, 3:54 PM

  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

  March 6, 2018, 3:54 PM – March 6, 2018, 4:06 PM

  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

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• First Principles Analysis on the Excitonic Properties of MoS₂/WS₂ and MoSe₂/WSe₂ Heterobilayers

  ORAL

  March 6, 2018, 4:06 PM – March 6, 2018, 4:18 PM

  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

  View abstract →

• Excited-state Dynamics and the Role of Electron-Phonon Interactions in Quantum Materials

  ORAL

  March 6, 2018, 4:18 PM – March 6, 2018, 4:30 PM

  Presenters

  • Prineha Narang

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

  Authors

  • Prineha Narang

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

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• Picosecond Electronic and Structural Dynamics in Photoexcited Monolayer MoSe₂

  ORAL

  March 6, 2018, 4:30 PM – March 6, 2018, 4:42 PM

  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

  View abstract →

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

  ORAL

  March 6, 2018, 4:42 PM – March 6, 2018, 4:54 PM

  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

  View abstract →

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

  ORAL

  March 6, 2018, 4:54 PM – March 6, 2018, 5:06 PM

  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

  View abstract →

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

  ORAL

  March 6, 2018, 5:06 PM – March 6, 2018, 5:18 PM

  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

  March 6, 2018, 5:18 PM – March 6, 2018, 5:30 PM

  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

  View abstract →