First-Principles Modeling of Excited State Phenomena VI: Semiconductors and Oxides
FOCUS · P7 ·
Presentations
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Implementation of highly parallel and large scale GW calculations within the OpenAtom software
COFFEE_KLATCH · Invited
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Authors
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Sohrab Ismail-Beigi
- Department of Applied Physics, Yale University
- Center for Research on Interface Structures and Phenomena and Department of Applied Physics, Yale University
- Yale Univ
- Yale University
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Band alignment at solid-liquid interfaces from GW theory combined with continuum solvation models
ORAL
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Authors
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Johannes Lischner
- Imperial College London
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Lars Blumenthal
- Imperial College London
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Matthias Kahk
- Imperial College London
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Paul Tangney
- Imperial College London
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First-principle study of phosphors for white-LED applications : absorption and emission energies for Ce- and Eu-doped hosts.
ORAL
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Authors
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Xavier Gonze
- Universite catholique de Louvain
- Universit\'{e} Catholique de Louvain
- Université catholique de Louvain, Belgium
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Yongchao Jia
- Université catholique de Louvain, Belgium
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Anna Miglio
- Université catholique de Louvain, Belgium
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Matteo Giantomassi
- Université catholique de Louvain, Belgium
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Samuel Ponce
- Oxford University, UK
- University of Oxford
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Masayoshi Mikami
- MCHC R&D Synergy Centre, Inc, Yokohama, Japan
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Carrier-Induced Transient Defect Formation and Nonradiative Recombination in InGaN Light-Emitting Devices: A First-Principles Study
ORAL
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Authors
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Junhyeok Bang
- Korea Basic Science Institute
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Yiyang Sun
- Rensselaer Polytechnic Institute
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J.-H. Song
- Kongju National University
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S. B. Zhang
- Rensselaer Polytechnic Institute
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Optical response of semiconductors in a dc-electric field
ORAL
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Authors
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Lucie Prussel
- Laboratoire des Solides Irradies, Ecole Polytechnique, CNRS, CEA/DSM and ETSF
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Valerie Veniard
- Laboratoire des Solides Irradies, Ecole Polytechnique, CNRS, CEA/DSM and ETSF
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Real-Space Analysis of the Optical Absorption in Alternative Phases of Silicon
ORAL
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Authors
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Chin Shen Ong
- Department of Physics, UC Berkeley and Lawrence Berkeley National Lab
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Sinisa Coh
- Mechanical Engineering, Materials Science and Engineering, UC Riverside
- UC Riverside
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Marvin L. Cohen
- Department of Physics, UC Berkeley and Lawrence Berkeley National Lab
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Steven G. Louie
- Department of Physics, UC Berkeley and Lawrence Berkeley National Lab
- UC Berkeley and Lawrence Berkeley National Lab
- University of California at Berkeley and Lawrence Berkeley National Lab
- Physics Department, UC Berkeley and Lawrence Berkeley National Lab
- Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory
- Univ of California - Berkeley and Lawrence Berkeley National Lab
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Near-edge optical properties of $\beta $-Ga$_{\mathrm{2}}$O$_{\mathrm{3}}$ determined through first-principles calculations
ORAL
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Authors
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Kelsey Mengle
- Univ of Michigan - Ann Arbor
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Guangsha Shi
- Univ of Michigan - Ann Arbor
- Materials Science and Engineering, University of Michigan
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Dylan Bayerl
- Univ of Michigan - Ann Arbor
- Materials Science and Engineering, University of Michigan
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Emmanouil Kioupakis
- Univ of Michigan - Ann Arbor
- University of Michigan
- Materials Science and Engineering, University of Michigan
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Schottky junctions studied using Korringa--Kohn–-Rostoker nonequilibrium Green’s function method
ORAL
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Authors
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Hisazumi Akai
- Univ of Tokyo
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Masako Ogura
- Department of Chemistry, University of Munich and Department of Physics, Osaka University
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Electronic correlations in FeSb$_2$: a QSGW+DMFT investigation
ORAL
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Authors
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Walber Hugo De Brito
- Brookhaven National Laboratory
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Sangkook Choi
- Brookhaven National Laboratory
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Gabriel Kotliar
- Brookhaven National Laboratory and Rutgers University
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Quasi-particle self-consistent GW calculation of the band structure of $\beta$-Ga$_2$O$_3$
ORAL
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Authors
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Amol Ratnaparkhe
- Case Western Reserve University
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Walter Lambrecht
- Case Western Reserve University
- Case Western Reserve Univ
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Surfaces and interfaces of topological insulators from relativistic many-body calculations
ORAL
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Authors
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Irene Aguilera
- Forschungszentrum Juelich
- Peter Gruenberg Institute and Institute for Advanced Simulation, Forschungszentrum Juelich and JARA, 52425 Juelich, Germany
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Christoph Friedrich
- Peter Gruenberg Institute and Institute for Advanced Simulation, Forschungszentrum Juelich and JARA, 52425 Juelich, Germany
- Peter Gr\"unberg Institut and Institute for Advanced Simulation, Forschungszentrum J\"ulich and JARA, 52425 J\"ulich, Germany
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Stefan Bl\"ugel
- Forschungszentrum J\"{u}lich, Germany
- Forschungszentrum Juelich
- Peter Gr\"unberg Institut (PGI-1) and Institute for Advanced Simulation (IAS-1), Forschungszentrum J\"ulich and JARA, D-52425 J\"ulich, Germany
- Peter Gruenberg Institute and Institute for Advanced Simulation, Forschungszentrum Juelich and JARA, 52425 Juelich, Germany
- Peter Gr\"unberg Institut (PGI-1) and Institute for Advanced Simulation (IAS-1), Forschungszentrum J\"ulich and JARA
- Peter Gr\"unberg Institut and Institute for Advanced Simulation, Forschungszentrum J\"ulich and JARA, 52425 J\"ulich, Germany
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A new DFT approach to model small polarons in oxides with proper account for long-range polarization
ORAL
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Authors
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Sebastian Kokott
- Fritz Haber Institute of the Max Planck Society
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Sergey V. Levchenko
- Fritz Haber Institute of the Max Planck Society
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Matthias Scheffler
- Fritz Haber Institute of the Max Planck Society
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GW Calculations of Bulk and Few-layer SnO
ORAL
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Authors
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Yabei Wu
- Shanghai University and State Univ of NY - Buffalo
- State Univ of NY - Buffalo
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Weiwei Gao
- State Univ of NY - Buffalo
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Weiyi Xia
- State Univ of NY - Buffalo
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Wei Ren
- University of Shanghai
- Shanghai University
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Peihong Zhang
- SUNY Buffalo
- Shanghai University and State Univ of NY - Buffalo
- State Univ of NY - Buffalo
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