Electronic Structure: Theory and Spectra

Presentations

• Atomic Ordering and Electronic Structure of X₂YSn Heusler Alloys: A First-Principles Study

  ORAL

  March 4, 2024, 8:00 AM – March 4, 2024, 8:12 AM

  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 →

• Logic gate analysis for spin precession and non-Abelian Berry phase in multi-subband system

  ORAL

  March 4, 2024, 8:12 AM – March 4, 2024, 8:24 AM

  Presenters

  • Tatsuki Tojo

    • Waseda Univ

  Authors

  • Tatsuki Tojo

    • Waseda Univ

  • Kyozaburo Takeda

    • Waseda Univ

  View abstract →

• Electronic structure investigation of pyrochlore spin-ice Pr₂Zr₂O₇

  ORAL

  March 4, 2024, 8:24 AM – March 4, 2024, 8:36 AM

  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

  View abstract →

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

  ORAL

  March 4, 2024, 8:36 AM – March 4, 2024, 8:48 AM

  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

  View abstract →

• Floating Surface Band in WO₂I₂

  ORAL

  March 4, 2024, 8:48 AM – March 4, 2024, 9:00 AM

  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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• A systematic study to investigate the effects of X-ray exposure on electrical properties of silicon dioxide thin films using X-ray photoelectron spectroscopy

  ORAL

  March 4, 2024, 9:00 AM – March 4, 2024, 9:12 AM

  Presenters

  • Nuri Oncel

    • University of North Dakota

  Authors

  • Nuri Oncel

    • University of North Dakota

  • Carlos M Munoz

    • University of North Dakota

  • Thomas Iken

    • University of North Dakota

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

  ORAL

  March 4, 2024, 9:12 AM – March 4, 2024, 9:24 AM

  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

  March 4, 2024, 9:24 AM – March 4, 2024, 9:36 AM

  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

  March 4, 2024, 9:36 AM – March 4, 2024, 9:48 AM

  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

  March 4, 2024, 9:48 AM – March 4, 2024, 10:00 AM

  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 ZrS₂

  ORAL

  March 4, 2024, 10:00 AM – March 4, 2024, 10:12 AM

  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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• Interband and exciton related optical properties of ZnGeN2 in comparison to GaN

  ORAL

  March 4, 2024, 10:12 AM – March 4, 2024, 10:24 AM

  Presenters

  • Ozan Dernek

    • Case Western Reserve University

  Authors

  • Ozan Dernek

    • Case Western Reserve University

  • Walter R L Lambrecht

    • Case Western Reserve University

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

  ORAL

  March 4, 2024, 10:24 AM – March 4, 2024, 10:36 AM

  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 →

• Quantum thermal avalanche: Spectral characteristics of size-invariant variations of energy landscapes

  ORAL

  March 4, 2024, 10:36 AM – March 4, 2024, 10:48 AM

  Publication: A. Aydin, "Spectral properties of size-invariant shape transformation", Phys. Rev. E, 107, 054108, (2023).

  Presenters

  • Alhun Aydin

    • Sabanci University

  Authors

  • Alhun Aydin

    • Sabanci University

  View abstract →