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Electronic Structure: Theory and Spectra

ORAL · D12 · ID: 46772

Presentations

  • Electronic Structure of InAs and InSb Surfaces: Density Functional Theory (DFT) and Angle-Resolved Photoemission Spectroscopy (ARPES)

    ORAL

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    Publication: arXiv:2012.14935

    Presenters

    • Noa Marom

      Carnegie Mellon University

    Authors

    • Shuyang Yang

      Carnegie Mellon Univ, Carnegie Mellon University

    • Niels B Schröter

      Paul Scherrer Institut

    • Vladimir N Strocov

      Paul Scherrer Institut

    • Sergej Schuwalow

      Microsoft Quantum Materials Lab

    • Mohana Rajpalke

      Microsoft Quantum Materials Lab

    • Keita Ohtani

      Microsoft Quantum Materials Lab

    • Peter Krogstrup

      Microsoft Quantum Materials Lab Copenhagen, University of Copenhagen and Microsoft Quantum Materials Lab Copenhagen, ekrogst@microsoft.com, Quantum Materials Lab Copenhagen, Microsoft, Microsoft Quantum Materials Lab, Center for Quantum Devices, Niels Bohr Institute, University of Copenhagen

    • Georg W Winkler

      Microsoft Corp

    • Jan Gukelberger

      Microsoft Corp

    • Dominik Gresch

      Microsoft Corp

    • Gabriel Aeppli

      Paul Scherrer Institute

    • Roman M Lutchyn

      Microsoft Corp

    • Noa Marom

      Carnegie Mellon University

    View abstract →

  • Ab-initio Self-Consistent Density Functional Theory Description of Rock-Salt Magnesium Selenide (MgSe)

    ORAL

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    Presenters

    • Yuriy Malozovsky

      Southern University and A&M College, Department of Mathematics and Physics, Southern University and A&M College, Baton Rouge, LA 70813, USA

    Authors

    • Yuriy Malozovsky

      Southern University and A&M College, Department of Mathematics and Physics, Southern University and A&M College, Baton Rouge, LA 70813, USA

    • Blaise A Ayirizia

      Southern University and A&M College, Department of Mathematics and Physics, Southern University and A&M College, Baton Rouge, LA 70813, USA

    • Uttam Bhandari

      Southern University and A&M College

    • Lashounda Franklin

      Department of Mathematics and Physics, Southern University and A&M College, Baton Rouge, LA 70813, USA, Southern University and A & M College

    • Diola Bagayoko

      Southern University and A&M College

    View abstract →

  • Multi-code Benchmark on Ti K-edge X-ray Absorption Spectra of Ti-O Compounds

    ORAL

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    Presenters

    • John Vinson

      National Institute of Standards and Tech

    Authors

    • John Vinson

      National Institute of Standards and Tech

    • Fanchen Meng

      Brookhaven National Laboratory

    • Senser Selcuk

      Brookhaven National Laboratory

    • Mark S Hybertsen

      Brookhaven National Laboratory

    • Benedikt Maurer

      Humboldt University of Berlin

    • Christian W Vorwerk

      University of Chicago

    • Claudia Draxl

      Humboldt University of Berlin

    • Xiaohui Qu

      Brookhaven National Laboratory

    • Deyu Lu

      Brookhaven National Laboratory

    View abstract →

  • Excitonic States in an Ellipsoidal Quantum Dot with Kane's Dispersion Law

    ORAL

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    Publication: Spontaneous Exciton Collapse in a Strongly Flattened Ellipsoidal InSb Quantum Dot, planned paper

    Presenters

    • Karen Dvoyan

      North Carolina Central University

    Authors

    • Karen Dvoyan

      North Carolina Central University

    • Abdennaceur Karoui

      North Carolina Central University

    • Branislav Vlahovic

      North Carolina Central University, North Carolina Central Univ

    View abstract →

  • The Importance of Avoided Crossings in Understanding Band Convergence in Half-Heusler Thermoelectric Semiconductors

    ORAL

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    Publication: M. K. Brod, S. Anand, G. J. Snyder, "The importance of avoided crossings in understanding band convergence in half-Heusler thermoelectric semiconductors" (2022). In Preparation.

    Presenters

    • Madison Brod

      Northwestern University

    Authors

    • Madison Brod

      Northwestern University

    • G. Jeffrey Snyder

      Northwestern University

    • Shashwat Anand

      Lawrence Berkeley National Laboratory

    View abstract →

  • Ab-initio computations of electronic, transport, and structural properties of zinc-blende beryllium sulfide (zb-BeS)

    ORAL

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    Presenters

    • Blaise A Ayirizia

      Southern University and A&M College, Department of Mathematics and Physics, Southern University and A&M College, Baton Rouge, LA 70813, USA

    Authors

    • Yuriy Malozovsky

      Southern University and A&M College, Department of Mathematics and Physics, Southern University and A&M College, Baton Rouge, LA 70813, USA

    • Blaise A Ayirizia

      Southern University and A&M College, Department of Mathematics and Physics, Southern University and A&M College, Baton Rouge, LA 70813, USA

    • Janee Brumfield

      Department of Mathematics and Physics Southern University and A&M College, Baton Rouge, LA 70813, USA

    • Diola Bagayoko

      Southern University and A&M College

    View abstract →

  • Electronic structure and local vibrational modes of Ni doped CdS: Crystal field splitting, Jahn-Teller instability, and on-site Coulomb correlation effects

    ORAL

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    Publication: [1] H. She, L. Li, H. Zhou, L. Wang, J. Huang, Q. Wang. Front. Chem. 6, (2018).<br>[2] D. W. Su, J. Ran, Z. W. Zhuang, C. Chen, S. Z. Qiao, Y. D. Li, G. X. Wang. Sci. Adv. 6, 8447 (2020).<br>[3] B. Zhang, C. Chen, J. Liu, W. Qiao, J. Zhao, J. Yang, Y. Yu, S. Chen, Y. Qin. Appl. Surf. Sci. 508, 144869 (2020).<br>[4] J. Wang, T. Xia, L. Wang, X. Zheng, Z. Qi, C. Gao, J. Zhu, Z. Li, H. Xu, Y. Xiong, Angew Chem Int Ed Engl. 57, 16447-16451 (2018).

    Presenters

    • Greis J. Cruz

      State Univ of NY - Buffalo

    Authors

    • Greis J. Cruz

      State Univ of NY - Buffalo

    • Zhao Tang

      State Univ of NY - Buffalo, University at Buffalo

    • Peihong Zhang

      State Univ of NY - Buffalo

    View abstract →

  • Chain Model of Charge Transfer and Application to Contact Electrification

    ORAL

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    Publication: On Chain Models for Contact Electrification, J. E. Hasbun, L. C. Lew Yan Voon, and M. Willatzen, 2021, to be submitted.

    Presenters

    • Javier E Hasbun

      University of West Georgia

    Authors

    • Javier E Hasbun

      University of West Georgia

    • L. C. Lew Yan Voon

      University of West Georgia

    • Morten Willatzen

      Technical University of Denmark

    View abstract →

  • Anderson localization of electron states in Al-Pd-Re quasicrystal

    ORAL

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    Publication: Phys. Rev. B 103, L241106 (2021)

    Presenters

    • Sudipta Roy Barman

      UGC-DAE Consortium for Scientific Research, UGC-DAE Consortium for Scientific Research, Khandwa Road, Indore 452001, Madhya Pradesh, India, UGC-DAE Consortium for Scientific Research, India

    Authors

    • Sudipta Roy Barman

      UGC-DAE Consortium for Scientific Research, UGC-DAE Consortium for Scientific Research, Khandwa Road, Indore 452001, Madhya Pradesh, India, UGC-DAE Consortium for Scientific Research, India

    • Shuvam Sarkar

      UGC-DAE Consortium for Scientific Research, UGC-DAE Consortium for Scientific Research, Khandwa Road, Indore 452001, Madhya Pradesh, India, UGC-DAE Consortium for Scientific Research, India

    • Marian Krajci

      Institute of Physics, Slovak Academy of Sciences

    • Pampa Sadhukhan

      UGC-DAE Consortium for Scientific Research, UGC-DAE Consortium for Scientific Research, Khandwa Road, Indore 452001, Madhya Pradesh, India, UGC-DAE Consortium for Scientific Research, India

    • Vipin K Singh

      UGC-DAE Consortium for Scientific Research, UGC-DAE Consortium for Scientific Research, India

    • Andrei Gloskovskii

      Deutsches Elektronen-Synchrotron DESY, 22607 Hamburg, Germany, DESY, Petra III, Hamburg, Germany, DESY, Deutsches Elektronen-Synchrotron DESY, Germany

    • Prabhat Mandal

      Saha Institute of Nuclear Physics

    • Vincent Fournee

      Université de Lorraine, Nancy, France, Institut Jean Lamour

    • Marie-Cecile de Weerd

      Institut Jean Lamour

    • Julian Ledieu

      Université de Lorraine, Nancy, France, Institut Jean Lamour

    • I. R Fisher

      Stanford Univ, Stanford University; SLAC National Accelerator Laboratory, Geballe Laboratory for Advanced Materials and Department of Applied Physics, Stanford University, CA 94305, USA

    View abstract →