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Excited State VI: Lattice and Spin Dynamics

FOCUS · W46 · ID: 47311

Presentations

  • Exotic transport phenomena in quantum materials from ab initio

    ORAL

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    Publication: 1 U. Vool, et al., Nat. Phys. (2021)<br>2 G. Varnavides, et al., arXiv:2106.00697 (2021)<br>3 Y. Wang, et al., arXiv:2109.00550 (2021)

    Presenters

    • Yaxian Wang

      Harvard University

    Authors

    • Yaxian Wang

      Harvard University

    • Georgios Varnavides

      Massachusetts Institute of Technology MI

    • Prineha Narang

      Harvard University

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  • Simulating THz field-induced ferroeletricity in quantum paraeletric SrTiO<sub>3</sub> by solving Schrodinger-Langevin equation

    ORAL

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    Publication: [1] Nova, T. F., Disa, A. S., Fechner, M. & Cavalleri, A. Metastable ferroelectricity in optically strained SrTiO3. Science 364, 1075–1079 (2019). <br>[2] Li, X. et al. Terahertz field–induced ferroelectricity in quantum paraelectric SrTiO3. Science 364, 1079–1082 (2019). <br>[3] Shin, D. et al. The quantum paraelectric phase of SrTiO$_3$ from first principles. Phys. Rev. B 104, L060103 (2021). <br>[4] Shin, D. et al. Simulating terahertz field-induced transient ferroeletricity in quantum paraelectric SrTiO$_3$. Arxiv:2106.03957 (2021).

    Presenters

    • Dongbin Shin

      Max Planck Institute for the Structure &

    Authors

    • Dongbin Shin

      Max Planck Institute for the Structure &

    • Angel Rubio

      Max Planck Institute for the Structure &, Max Planck Institute for the Structure and Dynamics of Matter, Hamburg Germany; Center for Computational Quantum Physics (CCQ), The Flatiron Institute, New York, USA

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  • Ultrafast dynamics of chiral phonons in WSe<sub>2</sub> by first-principles lattice dynamics simulations

    ORAL

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    Publication: [1] X. Tong and M. Bernardi, "Toward precise simulations of the coupled ultrafast dynamics of electrons and atomic vibrations in materials." Physical Review Research 3.2 (2021): 023072.

    Presenters

    • Xiao Tong

      Caltech

    Authors

    • Xiao Tong

      Caltech

    • Jinsoo Park

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

    • Marco Bernardi

      Department of Applied Physics and Materials Science, California Institute of Technology, Caltech, Department of Applied Physics and Materials Science, California Institute of Technology, Pasadena, CA 91125, USA

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  • Calculating Phonons within the FLAPW Method using Density Functional Perturbation Theory (DFPT)

    ORAL

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    Presenters

    • Christian-Roman Gerhorst

      Peter Grünberg Institute and Institute for Advance Simulation, Forschungszentrum Jülich and JARA

    Authors

    • Christian-Roman Gerhorst

      Peter Grünberg Institute and Institute for Advance Simulation, Forschungszentrum Jülich and JARA

    • Alexander Neukirchen

      Peter Grünberg Institute and Institute for Advance Simulation, Forschungszentrum Jülich and JARA

    • Daniel A Klüppelberg

      Peter Grünberg Institute and Institute for Advance Simulation, Forschungszentrum Jülich and JARA

    • Markus Betzinger

      Peter Grünberg Institute and Institute for Advance Simulation, Forschungszentrum Jülich and JARA

    • Gustav Bihlmayer

      Peter Grünberg Institute and Institute for Advance Simulation, Forschungszentrum Jülich and JARA

    • Stefan Blügel

      Forschungszentrum, Jülich, Peter Grünberg Institute and Institute for Advance Simulation, Forschungszentrum Jülich and JARA, Forschungszentrum Jülich, Forschungszentrum Jülich GmbH, Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA

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  • Electron spin decoherence due to phonons: Unified many-body framework and first-principles calculations

    ORAL

    –

    Presenters

    • Jinsoo Park

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

    Authors

    • Jinsoo Park

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

    • Jin-Jian Zhou

      School of Physics, Beijing Institute of Technology, Department of Applied Physics and Materials Science, California Institute of Technology, Caltech

    • Marco Bernardi

      Department of Applied Physics and Materials Science, California Institute of Technology, Caltech, Department of Applied Physics and Materials Science, California Institute of Technology, Pasadena, CA 91125, USA

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  • First-principles study of quasiparticle energies and optical excitations of 3C-SiC divacancy

    ORAL

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    Presenters

    • Weiwei Gao

      Dalian University of Technology

    Authors

    • Weiwei Gao

      Dalian University of Technology

    • Felipe H da Jornada

      Stanford Univ, Stanford University

    • Mauro Del Ben

      Lawrence Berkeley National Laboratory

    • Jack R Deslippe

      Lawrence Berkeley National Laboratory

    • Steven G Louie

      University of California at Berkeley, and Lawrence Berkeley National Laboratory, Physics Department, UC Berkeley and Lawrence Berkeley National Lab, University of California Berkeley, University of California, Berkeley, University of California at Berkeley; Lawrence Berkeley National Laboratory, University of California at Berkeley and Lawrence Berkeley National Laboratory, UC berkeley, University of California at Berkeley and Lawrence Berkeley National Lab, UC Berkeley & Lawrence Berkeley National Laboratory

    • James R Chelikowsky

      University of Texas at Austin, Texas Center for Superconductivity and Department of Chemistry, University of Houston, Houston, TX 77204, USA

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  • Memory Function Representation for the Electrical Conductivity of Solids

    ORAL

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    Publication: arXiv:2110.02859 [cond-mat.mtrl-sci]

    Presenters

    • Brett Green

      Pennsylvania State University

    Authors

    • Brett Green

      Pennsylvania State University

    • Santiago Rigamonti

      Humboldt University of Berlin

    • Maria Troppenz

      Humboldt University of Berlin

    • Claudia Draxl

      Humboldt University of Berlin

    • Jorge O Sofo

      Pennsylvania State University

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  • Study of high temperature Be from first principles

    ORAL

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    Presenters

    • Brian Robinson

      University of Illinois at Urbana-Champai

    Authors

    • Brian Robinson

      University of Illinois at Urbana-Champai

    • Andre Schleife

      University of Illinois at Urbana-Champai, University of Illinois at Urbana-Champaign

    • Stephanie B Hansen

      Sandia National Laboratories

    • Alina Kononov

      Sandia National Laboratories, Sandia National Lab

    • Andrew D Baczewski

      Sandia National Laboratories

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