Electronic Structure: Theory and Spectra

ORAL · A13 · ID: 2155840

Presentations

  • Atomic Ordering and Electronic Structure of X<sub>2</sub>YSn Heusler Alloys: A First-Principles Study

    ORAL

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    Presenters

    • Michael R Zengel

      The University of Alabama, University of Alabama

    Authors

    • Michael R Zengel

      The University of Alabama, University of Alabama

    • Riley J Nold

      The University of Alabama, University of Alabama

    • Thomas Roden

      The University of Alabama, University of Alabama

    • Ridwan Nahar

      The University of Alabama

    • Justin Lewis

      The University of Alabama, University of Alabama

    • Adam Hauser

      University of Alabama, The University of Alabama

    View abstract →

  • Electronic structure investigation of pyrochlore spin-ice Pr<sub>2</sub>Zr<sub>2</sub>O<sub>7</sub>

    ORAL

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    Presenters

    • Zachary T Socha

      University of Alabama

    Authors

    • Zachary T Socha

      University of Alabama

    • Benjamin Trump

      National Institute of Standards and Technology

    • Brian Hoskins

      Nanoscale Device Characterization Division, National Institute of Standards and Technology

    • Kathryn Arpino

      Johns Hopkins University

    • Seyed M Koohpayeh

      Johns Hopkins University

    • Tyrel M McQueen

      Johns Hopkins University, Institute for Quantum Matter, William H. Miller III Department of Physics and Astronomy, Johns Hopkins University

    • Adam Hauser

      University of Alabama, The University of Alabama

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  • Theoretical study of the layer number and strain effects on the structural and electronic properties of Platinum diselenide (PtSe2) material

    ORAL

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    Presenters

    • Adlen Smiri

      AIST

    Authors

    • Adlen Smiri

      AIST

    • Rania Amairi

      Faculté des Sciences de Bizerte, Laboratoire de Physique des Matériaux: Structure et Propriétés, Université de Carthage, 7021 Jarzouna, Tunisia

    • Sihem Jaziri

      Faculté des Sciences de Bizerte, Laboratoire de Physique des Matériaux: Structure et Propriétés, Université de Carthage, 7021 Jarzouna, Tunisia

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  • Floating Surface Band in WO<sub>2</sub>I<sub>2</sub>

    ORAL

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    Presenters

    • Eric Seewald

      Columbia University

    Authors

    • Eric Seewald

      Columbia University

    • Jordan Cox

      Columbia University

    • Xiong Huang

      Columbia University

    • Asish K. Kundu

      Brookhaven National Laboratory

    • Yinming Shao

      Columbia University

    • Till Schertenleib

      École Polytechnique Fédérale de Lausanne

    • Chun-Ying Huang

      Columbia University

    • Zhi Lin

      Columbia University

    • Xiaoyang Zhu

      Columbia University

    • Simon L Billinge

      Columbia Univ, Columbia University

    • Dmitri N Basov

      Columbia University

    • Raquel Queiroz

      Columbia University

    • Sophie Beck

      Simons Foundation

    • Xavier Roy

      Columbia University

    • Abhay N Pasupathy

      Columbia University, Columbia University & Brookhaven National Laboratory

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  • Application of Full-Potential DFT Method Based on Multiple Scattering Theory on Group IV Alloys

    ORAL

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    Presenters

    • Wasim R Mondal

      Middle Tennessee State University

    Authors

    • Wasim R Mondal

      Middle Tennessee State University

    • Swarnava Ghosh

      Oak Ridge National Laboratory, Oak Ridge National Laboratory (ORNL)

    • Ka Ming Tam

      Louisiana State University

    • Markus Eisenbach

      Oak Ridge National Laboratory

    • Yang Wang

      Pittsburgh Supercomput Ctr

    • Hanna Terletska

      Middle Tennessee State University

    View abstract →

  • Periodic coupled-cluster theory for the ground and excited states with atom-centered basis functions

    ORAL

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    Publication: E. Moerman et al., The Journal of Open Source Software 7, 4 (2022)

    Presenters

    • Evgeny Moerman

      The NOMAD Laboratory at the FHI of the MPG, Berlin

    Authors

    • Evgeny Moerman

      The NOMAD Laboratory at the FHI of the MPG, Berlin

    • Matthias Scheffler

      The NOMAD Laboratory at the FHI of the Max-Planck-Gesellschaft and IRIS-Adlershof of the Humboldt-Universität zu Berlin, The NOMAD Laboratory at the Fritz Haber Institute of the MPG, The NOMAD Laboratory at the FHI of the Max Planck Society

    • Felix Hummel

      Vienna University of Technology, Institute for Theoretical Physics, TU Wien, Vienna, Austria

    • Andreas Irmler

      Vienna University of Technology, Institute for Theoretical Physics, TU Wien, Vienna, Austria

    • Alejandro Gallo

      Vienna University of Technology, Institute for Theoretical Physics, TU Wien, Vienna, Austria

    • Andreas Grüneis

      Vienna University of Technology, Institute for Theoretical Physics, TU Wien, Vienna, Austria

    View abstract →

  • Electronic structure and thermoelectric performance of SnSe with controlled vacancy population

    ORAL

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    Publication: Lee et al. Nano Convergence 10, 32 (2023)

    Presenters

    • Sung-Kwan Mo

      Lawrence Berkeley National Laboratory

    Authors

    • Sung-Kwan Mo

      Lawrence Berkeley National Laboratory

    • Ji-Eun Lee

      Lawrence Berekely National Laboratory, Lawrence Berkeley National Laboratory

    • Kyoo Kim

      KAERI

    • Van Quang Nguyen

      University of Ulsan

    • Jinwoong Hwang

      Kangwon National University, Lawrence Berkeley National Laboratory

    • Jonanthan D Denlinger

      Lawrence Berkeley National Laboratory, Lawrence Berkeley National Lab

    • Byung Il Min

      POSTECH

    • Sunglae Cho

      Department of Physics and Energy Harvest and Storage Research Center, University of Ulsan, University of Ulsan

    • Hyejin Ryu

      Korea Institute of Science and Technolog

    • Choongyu Hwang

      Pusan Natl Univ

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  • First Principle Calculations of Electronic Properties of Bulk and 2D Hexagonal Boron Nitride (hex-BN)

    ORAL

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    Presenters

    • YURIY MALOZOVSKY

      Southern University and A&M College

    Authors

    • YURIY MALOZOVSKY

      Southern University and A&M College

    • Anthony Stewart

      Southern University and A&M College

    • Diola Bagayoko

      Department of Mathematics and Physics, Southern University and A&M College in Baton Rouge (SUBR, Baton Rouge, Louisiana 70813, USA, Southern University and A&M College

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  • Ab-Initio Computations of Electronic and Related Properties of Hexagonal ZrS<sub>2</sub>

    ORAL

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    Presenters

    • Alle Dioum

      Department of Physics, Cheick Anta Diop University (UCAD), Dakar, Senegal

    Authors

    • Alle Dioum

      Department of Physics, Cheick Anta Diop University (UCAD), Dakar, Senegal

    • YURIY MALOZOVSKY

      Southern University and A&M College

    • Diola Bagayoko

      Department of Mathematics and Physics, Southern University and A&M College in Baton Rouge (SUBR, Baton Rouge, Louisiana 70813, USA, Southern University and A&M College

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  • Energy gap and interband transitions in black phosphorus studied with momentum-resolved EELS

    ORAL

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    Presenters

    • Jin Chen

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

    Authors

    • Jin Chen

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

    • Dipanjan Chaudhuri

      University of Illinois at Urbana-Champaign

    • Xuefei Guo

      University of Illinois at Urbana-Champaign

    • Caitlin S Kengle

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

    • Farzaneh H Hoveyda

      University of Illinois, Urbana Champaign, University of Illinois at Urbana-Champaign, UIUC, MRL

    • Christian M Boyd

      University of Illinois at Urbana-Champaign

    • Elizabeth A Peterson

      Los Alamos National Laboratory, Theoretical Division, Los Alamos National Laboratory, Los Alamos,NM87545, USA

    • Yonatan Kahn

      University of Illinois at Urbana-Champaign

    • Peter Abbamonte

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

    View abstract →