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Electrons, Phonons, Electron-Phonon Scattering, and Phononics II

FOCUS · G48 · ID: 47262

Presentations

  • Modeling superconducting properties with the Eliashberg formalism

    ORAL · Invited

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    Presenters

    • Elena R Margine

      Department of Physics, Applied Physics, and Astronomy, Binghamton University-SUNY, Binghamton, New York 13902, USA, Binghamton University

    Authors

    • Elena R Margine

      Department of Physics, Applied Physics, and Astronomy, Binghamton University-SUNY, Binghamton, New York 13902, USA, Binghamton University

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  • elphbolt: An ab initio solver for the coupled and decoupled electron and phonon Boltzmann transport equations

    ORAL

    –

    Publication: Protik, N. H., Li, C., Pruneda, M., Broido, D. and Ordejón, P., 2021. Elphbolt: An ab initio solver for the coupled electron-phonon Boltzmann transport equations. arXiv preprint arXiv:2109.08547.

    Presenters

    • Nakib H Protik

      Catalan Institute of Nanoscience and Nanotechnology (ICN2)

    Authors

    • Nakib H Protik

      Catalan Institute of Nanoscience and Nanotechnology (ICN2)

    • Chunhua Li

      Boston College

    • Miguel A Pruneda

      Catalan Institute of Nanoscience and Nanotechnology (ICN2)

    • David A Broido

      Boston College

    • Pablo Ordejon

      ICN2 Barcelona, Catalan Institute of Nanoscience and Nanotechnology (ICN2)

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  • Ab initio theory of coherent electron-phonon-photon processes in photoemission from single-crystal materials

    ORAL

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    Publication: J. K. Nangoi, S. Karkare, R. Sundararaman, H. A. Padmore, and T. A. Arias, Phys. Rev. B 104, 115132 (2021).

    Presenters

    • Johannes Kevin Nangoi

      Cornell University

    Authors

    • Johannes Kevin Nangoi

      Cornell University

    • Siddharth Karkare

      Arizona State University

    • Ravishankar Sundararaman

      Rensselaer Polytechnic Institute

    • Howard A Padmore

      Lawrence Berkeley National Laboratory

    • Tomas A Arias

      Cornell University, Physics, Cornell University

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  • Electron-Phonon Scattering and Mobility in Atomically Thin AlN/GaN Superlattices from First Principles

    ORAL

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    Publication: 1. N. Pant, Z. Deng, and E. Kioupakis. "High Electron Mobility of AlxGa1-xN Evaluated by Unfolding the DFT Bandstructure." Applied Physics Letters 117 (24), 242105. https://doi.org/10.1063/5.0027802<br><br>2. N. Pant, W. Lee, N. Sanders, and E. Kioupakis. "Power-Electronics Figure of Merit of AlN/GaN Superlattices." In preparation.

    Presenters

    • Nick Pant

      University of Michigan

    Authors

    • Nick Pant

      University of Michigan

    • Woncheol Lee

      University of Michigan

    • Nocona Sanders

      University of Michigan

    • Emmanouil Kioupakis

      University of Michigan

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  • Coupled electron-phonon transport from first principles

    ORAL

    –

    Publication: [1] Protik, N. H., Li, C., Pruneda, M., Broido, D. and Ordejón, P., 2021. elphbolt: An ab initio solver for the coupled electron-phonon Boltzmann transport equations. arXiv preprint arXiv:2109.08547.

    Presenters

    • Chunhua Li

      Boston College

    Authors

    • Chunhua Li

      Boston College

    • Nakib H Protik

      Catalan Institute of Nanoscience and Nanotechnology (ICN2)

    • Pablo Ordejon

      ICN2 Barcelona, Catalan Institute of Nanoscience and Nanotechnology (ICN2)

    • David A Broido

      Boston College

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  • Electron phonon coupling and coherent phonon modulation of charge transfer in two dimensional perovskite (AE2T)<sub>2</sub>AgBiI<sub>8</sub>

    ORAL

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    Presenters

    • Xixi Qin

      Duke University

    Authors

    • Xixi Qin

      Duke University

    • Dovletgeldi Seyitliyev

      North Carolina State University

    • Manoj K Jana

      Duke University

    • Svenja M Janke

      The University of Warwick

    • Wei You

      University of North Carolina at Chapel Hill

    • David B Mitzi

      Duke University

    • Kenan Gundogdu

      North Carolina State University

    • Volker Blum

      Duke University

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  • Band gap renormalization in 2D materials from first-principles

    ORAL

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    Publication: [1] Zacharias, M., and Giustino, F. (2020). Theory of the special displacement method for electronic structure calculations at finite temperature. Physical Review Research, 2(1). https://doi.org/10.1103/physrevresearch.2.013357

    Presenters

    • Sahar Sharifzadeh

      Boston University

    Authors

    • Sahar Sharifzadeh

      Boston University

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  • Lattice dynamics effects on magnetocrystalline anisotropy energy of YCo<sub>5</sub> from first principles

    ORAL

    –

    Presenters

    • Guangzong Xing

      National Institute for Materials Science

    Authors

    • Guangzong Xing

      National Institute for Materials Science

    • Yoshio Miura

      National Institute for Materials Science

    • Terumasa Tadano

      CMSM NIMS, Spintronic Materials, National Institute for Materials Science, Tsukuba 305-0047, Japan, National Institute for Materials Science

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  • Efficient transport calculations in 2D materials

    ORAL

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    Publication: [1] S. Poncé, F. Macheda, E. R. Margine, N. Marzari, N. Bonini, and F. Giustino, Phys. Rev. Research 3, 043022 (2021) <br>[2] M. Royo and M. Stengel, arXiv:2012.07961 (2021)<br>[3] S. Poncé, W. Li, S. Reichardt, and F. Giustino, Rep. Prog. Phys. 83, 036501 (2020)

    Presenters

    • Samuel Ponce

      Ecole Polytechnique Federale de Lausanne

    Authors

    • Samuel Ponce

      Ecole Polytechnique Federale de Lausanne

    • Miquel Royo

      ICMAB-CSIC, Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), Campus UAB, 08193 Bellaterra, Spain

    • Marco Gibertini

      University of Modena & Reggio Emilia, Dipartimento di Fisica Informatica e Matematica, Università di Modena e Reggio Emilia, Via Campi 213/a I-41125 Modena, Italy

    • Massimiliano Stengel

      ICREA-Inst Catalana de Recerca i Estudis, Autonomous University of Barcelona, ICMAB-CSIC

    • Nicola Marzari

      Ecole Polytechnique Federale de Lausanne, Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne

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