Electronic Structure: Theory and Spectra
ORAL · D12 · ID: 46772
Presentations
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Structure and Properties of Ab-initio Predicted B<sub>x</sub>Al<sub>1−x</sub>N Alloys
ORAL
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Presenters
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Cody L Milne
- Arizona State University
Authors
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Cody L Milne
- Arizona State University
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Tathagata Biswas
- Arizona State University
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Arunima K Singh
- Arizona State University
- ASU
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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
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Noa Marom
- Carnegie Mellon University
Authors
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Shuyang Yang
- Carnegie Mellon Univ
- Carnegie Mellon University
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Niels B Schröter
- Paul Scherrer Institut
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Vladimir N Strocov
- Paul Scherrer Institut
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Sergej Schuwalow
- Microsoft Quantum Materials Lab
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Mohana Rajpalke
- Microsoft Quantum Materials Lab
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Keita Ohtani
- Microsoft Quantum Materials Lab
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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
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Georg W Winkler
- Microsoft Corp
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Jan Gukelberger
- Microsoft Corp
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Dominik Gresch
- Microsoft Corp
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Gabriel Aeppli
- Paul Scherrer Institute
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Roman M Lutchyn
- Microsoft Corp
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Noa Marom
- Carnegie Mellon University
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Ab-initio Self-Consistent Density Functional Theory Description of Rock-Salt Magnesium Selenide (MgSe)
ORAL
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Presenters
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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
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Yuriy Malozovsky
- Southern University and A&M College
- Department of Mathematics and Physics, Southern University and A&M College, Baton Rouge, LA 70813, USA
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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
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Uttam Bhandari
- Southern University and A&M College
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Lashounda Franklin
- Department of Mathematics and Physics, Southern University and A&M College, Baton Rouge, LA 70813, USA
- Southern University and A & M College
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Diola Bagayoko
- Southern University and A&M College
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Property Exploration and Structure Prediction of Eu-including Defect-Resistant I<sub>2</sub>-Eu-IV-X<sub>4</sub> (I = Li, Cu, Ag; IV = Si, Ge, Sn; X = S, Se) Chalcogenide Semiconductors
ORAL
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Presenters
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Tianlin Wang
- Duke University
Authors
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Tianlin Wang
- Duke University
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Yi Yao
- Duke University
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Garrett Wessler
- Duke University
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Volker Blum
- Duke University
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David B Mitzi
- Duke University
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Multi-code Benchmark on Ti K-edge X-ray Absorption Spectra of Ti-O Compounds
ORAL
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Presenters
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John Vinson
- National Institute of Standards and Tech
Authors
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John Vinson
- National Institute of Standards and Tech
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Fanchen Meng
- Brookhaven National Laboratory
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Senser Selcuk
- Brookhaven National Laboratory
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Mark S Hybertsen
- Brookhaven National Laboratory
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Benedikt Maurer
- Humboldt University of Berlin
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Christian W Vorwerk
- University of Chicago
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Claudia Draxl
- Humboldt University of Berlin
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Xiaohui Qu
- Brookhaven National Laboratory
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Deyu Lu
- Brookhaven National Laboratory
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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
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Karen Dvoyan
- North Carolina Central University
Authors
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Karen Dvoyan
- North Carolina Central University
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Abdennaceur Karoui
- North Carolina Central University
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Branislav Vlahovic
- North Carolina Central University
- North Carolina Central Univ
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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
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Madison Brod
- Northwestern University
Authors
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Madison Brod
- Northwestern University
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G. Jeffrey Snyder
- Northwestern University
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Shashwat Anand
- Lawrence Berkeley National Laboratory
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Ab-initio computations of electronic, transport, and structural properties of zinc-blende beryllium sulfide (zb-BeS)
ORAL
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Presenters
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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
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Yuriy Malozovsky
- Southern University and A&M College
- Department of Mathematics and Physics, Southern University and A&M College, Baton Rouge, LA 70813, USA
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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
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Janee Brumfield
- Department of Mathematics and Physics Southern University and A&M College, Baton Rouge, LA 70813, USA
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Diola Bagayoko
- Southern University and A&M College
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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).
[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).
[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).
[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
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Greis J. Cruz
- State Univ of NY - Buffalo
Authors
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Greis J. Cruz
- State Univ of NY - Buffalo
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Zhao Tang
- State Univ of NY - Buffalo
- University at Buffalo
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Peihong Zhang
- State Univ of NY - Buffalo
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Nonlinear Properties of Monolayer Transition Metal Dichalcogenide Systems
ORAL
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Presenters
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Nicholas A Pike
- UES, Inc
Authors
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Nicholas A Pike
- UES, Inc
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Ruth Pachter
- Air Force Institute of Tech - WPAFB
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Thickness dependence of the electronic and magnetic structure of a correlated van der Waals magnet, CrPS<sub>4</sub>.
ORAL
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Presenters
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Alexandria R Alcantara
- University of North Florida
Authors
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Alexandria R Alcantara
- University of North Florida
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Christopher A Lane
- Los Alamos National Laboratory
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Jason T Haraldsen
- University of North Florida
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Roxanne M Tutchton
- Los Alamos National Laboratory
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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
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Javier E Hasbun
- University of West Georgia
Authors
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Javier E Hasbun
- University of West Georgia
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L. C. Lew Yan Voon
- University of West Georgia
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Morten Willatzen
- Technical University of Denmark
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Theoretical study on symmetries and properties of three-dimensional valleytronic systems
ORAL
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Presenters
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Manabu Takeichi
- Tokyo Institute of Technology, Tokyo
Authors
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Manabu Takeichi
- Tokyo Institute of Technology, Tokyo
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Shuichi Murakami
- Tokyo Institute of Technology, Tokyo
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Anderson localization of electron states in Al-Pd-Re quasicrystal
ORAL
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Publication: Phys. Rev. B 103, L241106 (2021)
Presenters
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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
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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
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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
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Marian Krajci
- Institute of Physics, Slovak Academy of Sciences
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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
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Vipin K Singh
- UGC-DAE Consortium for Scientific Research
- UGC-DAE Consortium for Scientific Research, India
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Andrei Gloskovskii
- Deutsches Elektronen-Synchrotron DESY, 22607 Hamburg, Germany
- DESY, Petra III, Hamburg, Germany
- DESY
- Deutsches Elektronen-Synchrotron DESY, Germany
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Prabhat Mandal
- Saha Institute of Nuclear Physics
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Vincent Fournee
- Université de Lorraine, Nancy, France
- Institut Jean Lamour
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Marie-Cecile de Weerd
- Institut Jean Lamour
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Julian Ledieu
- Université de Lorraine, Nancy, France
- Institut Jean Lamour
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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
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Density functional theory investigation of highly conductive Ti sub-oxides for nanoelectromechanical systems (NEMS) switches
ORAL
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Publication: [1] Mehmet Gokhan Sensoy, Robert W. Carpick, David J. Srolovitz, "Manipulating the electrical properties of sub-stoichiometric titanium oxides", under preparation.
Presenters
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Mehmet G Sensoy
- Mehmet Sensoy
Authors
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Mehmet G Sensoy
- Mehmet Sensoy
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