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Carrier Transport II

FOCUS · MAR-T46 · ID: 3103797

Presentations

  • Electron charge dynamics and charge separation: A response theory approach

    ORAL

    –

    Publication: Vitaly Gorelov, Lucia Reining, and Lionel Lacombe, Electron charge dynamics and charge separation: A response theory approach. in preparation (2024)

    Presenters

    • Vitaly Gorelov

      CNRS, Ecole Polytechnique

    Authors

    • Vitaly Gorelov

      CNRS, Ecole Polytechnique

    • Lucia Reining

      CNRS

    • Lionel Lacombe

      Ecole Polytechnique

    View abstract →

  • First-Principles Investigation of Thermoelectric Properties in Cu-Ni Alloys

    ORAL

    –

    Publication: [1]. SPR-KKR Package, Version 8.6, https://www.ebert.cup.uni-muenchen.de/sprkkr/<br>[2]. MuST package, https://must-project.github.io/Webpage/<br>[3] Hubert Ebert, Diemo Koedderitzsch, and Jan Minar, "Calculating condensed matter properties using the KKR-Green's function method - recent developments and applications", Reports on Progress in Physics, vol 74, 096501 (2011).

    Presenters

    • Yuqing Lin

      Carnegie Mellon University

    Authors

    • Yuqing Lin

      Carnegie Mellon University

    • Alberto Marmodoro

      Institute of Physics (FZU), Czech Academy of Sciences

    • Yang Wang

      Carnegie Mellon University

    • Michael Widom

      Carnegie Mellon University

    View abstract →

  • Monolayer WS<sub>2</sub>: Ultra-high mobility semiconductor for 2D transistors

    ORAL

    –

    Publication: V. A. Ha and F. Giustino, "High-throughput screening of 2D materials identifies p-type monolayer WS2 as potential ultra-high mobility semiconductor", npj Comput Mater 10, 229 (2024). https://doi.org/10.1038/s41524-024-01417-0

    Presenters

    • Viet-Anh Ha

      University of Texas at Austin

    Authors

    • Viet-Anh Ha

      University of Texas at Austin

    • Feliciano Giustino

      University of Texas at Austin

    View abstract →

  • First-principles calculations of charge carrier transport

    ORAL · Invited

    –

    Publication: [1] S. Poncé, W. Li, S. Reichardt, and F. Giustino, Rep. Prog. Phys. 83, 036501 (2020)<br>[2] S. Poncé, F. Macheda, E.R. Margine, N. Marzari, N. Bonini, and F. Giustino, Phys. Rev. Research 3, 043022 (2021)<br>[3] S. Poncé, M. Royo, M. Gibertini, N. Marzari, and M. Stengel, Phys. Rev. Lett. 130, 166301 (2023)<br>[4] J. Zhou, S. Poncé, and J.C. Charlier, Phys. Rev. B 110, 125304 (2024)<br>[5] J.M. Lihm, S. Poncé, and C.H. Park, Phys. Rev. B 110, L121106 (2024)<br>[6] J.M. Lihm and S. Poncé, to be submitted (2024)

    Presenters

    • Samuel Poncé

      UCLouvain

    Authors

    • Samuel Poncé

      UCLouvain

    View abstract →

  • Materials Discovery for Interconnects from First Principles

    ORAL

    –

    Presenters

    • Lily Jade Joyce

      Rensselaer Polytechnic Institute, James Madison University

    Authors

    • Lily Jade Joyce

      Rensselaer Polytechnic Institute, James Madison University

    • Joshua Scott Quinton

      Rensselaer Polytechnic Institute

    • Michelle M Kelley

      Rensselaer Polytechnic Institute

    • Kai Wagoner-Oshima

      Rensselaer Polytechnic Institute

    • Trevor David Rhone

      Rensselaer Polytechnic Institute

    • Ravishankar Sundararaman

      Rensselaer Polytechnic Institute

    View abstract →

  • Design of high-mobility p-type GaN via the piezomobility tensor

    ORAL

    –

    Presenters

    • Jie-Cheng Chen

      University of Texas at Austin

    Authors

    • Jie-Cheng Chen

      University of Texas at Austin

    • Joshua A Leveillee

      Los Alamos National Laboratory

    • Chris G Van de Walle

      University of California, Santa Barbara, Materials Department, University of California, Santa Barbara, CA 93106-5050, U.S.A.

    • Feliciano Giustino

      University of Texas at Austin

    View abstract →

  • A Semi-classical Floquet-NEGF Method to Model Opto-electronic Devices

    ORAL

    –

    Publication: De Sutter, N., Vanderstraeten, E. & Vande Ginste, D. A semi-classical Floquet-NEGF approach to model photon-assisted tunneling in quantum well devices. J Comput Electron (2024). https://doi.org/10.1007/s10825-024-02203-3

    Presenters

    • Nathan De Sutter

      Ghent University

    Authors

    • Nathan De Sutter

      Ghent University

    • Emile Vanderstraeten

      Ghent University

    View abstract →

  • Phonon-limited electronic transport coefficients using the projector-augmented-wave method

    ORAL

    –

    Presenters

    • Henrique P Miranda

      VASP Software GmbH

    Authors

    • Henrique P Miranda

      VASP Software GmbH

    • Manuel Engel

      VASP Software GmbH

    • Laurent Chaput

      Université de Lorraine, Lorraine University

    • Atsushi Togo

      Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science, Tsukuba, National Institute for Materials Science, Tsukuba

    • Martin Schlipf

      VASP Software GmbH

    • Martijn Marsman

      VASP Software GmbH

    • Georg Kresse

      University of Vienna

    View abstract →

  • High-throughput search of topological materials for interconnects using first-principles transport calculations and machine-learning

    ORAL

    –

    Presenters

    • Michelle M Kelley

      Rensselaer Polytechnic Institute

    Authors

    • Michelle M Kelley

      Rensselaer Polytechnic Institute

    • Kai Wagoner-Oshima

      Rensselaer Polytechnic Institute

    • Lily Jade Joyce

      Rensselaer Polytechnic Institute, James Madison University

    • Dmitry Zubarev

      IBM Almaden Research Center

    • Timothy Philip

      IBM Research, Albany

    • Ching-Tzu Chen

      IBM Thomas J. Watson Research Center

    • Trevor David Rhone

      Rensselaer Polytechnic Institute

    • Ravishankar Sundararaman

      Rensselaer Polytechnic Institute

    View abstract →