Dopants and Defects in Semiconductors - Theory
FOCUS · F11 ·
Presentations
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Theoretical studies of defects in oxide thin films
Invited
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Presenters
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Ulrich Aschauer
- Physics, U Bern
- Department of Chemistry and Biochemistry, University of Bern
Authors
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Ulrich Aschauer
- Physics, U Bern
- Department of Chemistry and Biochemistry, University of Bern
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HSE hybrid functional tuned to generalized Koopmans condition for defect calculations in GaN
ORAL
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Presenters
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Denis Demchenko
- Department of Physics, Virginia Commonwealth University
Authors
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Denis Demchenko
- Department of Physics, Virginia Commonwealth University
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Michael Reshchikov
- Department of Physics, Virginia Commonwealth University
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<i>Ab initio</i> Calculation of Nonradiative Carrier Recombination in Cu<sub>2</sub>ZnSnS<sub>4</sub>
ORAL
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Presenters
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Ji-Qiang Li
- Fudan Univ
Authors
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Ji-Qiang Li
- Fudan Univ
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Zhen-Kun Yuan
- Fudan Univ
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Shiyou Chen
- East China Normal University
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Xingao Gong
- Fudan University
- Fudan Univ
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Suhuai Wei
- Beijing Computational Science Res Ctr
- Beijing Computational Science Research Center
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Grown-in beryllium diffusion in indium gallium arsenide: An <i>ab initio</i>, continuum theory and kinetic Monte Carlo study
ORAL
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Presenters
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Wenyuan Liu
- Nanyang Tech Univ
Authors
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Wenyuan Liu
- Nanyang Tech Univ
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Siew Ann Cheong
- Nanyang Tech Univ
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Mahasin Alam Sk
- National University of Singapore
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Sergei Manzhos
- National University of Singapore
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Ignacio Martin-Bragado
- Universidad Catolica de Murcia
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Francis Benistant
- GlobalFoundries Singapore Pte Ltd.
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Magnetic Behavior of As-antisite Defect in Low-temperature GaAs from First-principles Bandstructure with Spin Orbit Interaction
ORAL
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Presenters
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Mary Clare Escano
- Department of Applied Physics, University of Fukui
Authors
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Mary Clare Escano
- Department of Applied Physics, University of Fukui
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Yu Osanai
- Research Center for Development of Far-Infrared Region, University of Fukui
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Masahiko Tani
- Research Center for Development of Far-Infrared Region, University of Fukui
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Treatment of defects and defect levels in ternary alloys using special quasirandom structures: InGaAs
ORAL
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Presenters
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Peter Schultz
- Sandia National Laboratories
- Center for Computing Research, Sandia National Laboratories
- Sandia Natl Labs
Authors
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Peter Schultz
- Sandia National Laboratories
- Center for Computing Research, Sandia National Laboratories
- Sandia Natl Labs
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Descriptor-based approach for the prediction of cation vacancy formation energies and transition levels
ORAL
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Presenters
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Joel Varley
- Lawrence Livermore National Laboratory
- Lawrence Livermore Natl Lab
Authors
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Joel Varley
- Lawrence Livermore National Laboratory
- Lawrence Livermore Natl Lab
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Amit Samanta
- Lawrence Livermore Natl Lab
- Lawrence Livermore National Laboratory
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Vincenzo Lordi
- Lawrence Livermore Natl Lab
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Atomic-scale study of aging effects in poly-crystalline CdTe solar cell
ORAL
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Presenters
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Jinglong Guo
- University of Illinois at Chicago
Authors
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Jinglong Guo
- University of Illinois at Chicago
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Fatih Sen
- Argonne National Lab
- Argonne National Laboratory
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Luhua Wang
- The University of Texas at Dallas
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Seungjin Nam
- The University of Texas at Dallas
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Moon Kim
- The University of Texas at Dallas
- Materials Science, University of Texas at Dallas
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Maria Chan
- Argonne Natl Lab
- Argonne National Lab
- Argonne National Laboratory
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Robert Klie
- Department of Physics, University of Illinois at Chicago
- Univ of Illinois - Chicago
- University of Illinois at Chicago
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Dangling bond defects in SiC: an ab initio study
ORAL
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Presenters
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Blair Tuttle
- Penn State Behrend
Authors
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Blair Tuttle
- Penn State Behrend
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Unraveling the role of vacancies in potentially promising thermoelectric Ba<sub>8</sub>Zn<sub>x</sub>Ge<sub>46-x-y</sub>■<sub>y</sub> clathrates
ORAL
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Presenters
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Saswata Bhattacharya
- Department of Physics, IIT-Delhi
- Physics, Indian Institute of Technology, Delhi
Authors
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Saswata Bhattacharya
- Department of Physics, IIT-Delhi
- Physics, Indian Institute of Technology, Delhi
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Amrita Bhattacharya
- Dept. of Metallurgical Engineering & Materials Science, Indian Institute of Technology Bombay
- Metallurgical Engg. and Materials Science, Indian Institute of Technology Bombay
- Metallurgical Engg. and Materials Science, Indian Institute of Technology, Bombay
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First-principles calculations on intrinsic point defects in CsPbBr<sub>3</sub>
ORAL
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Presenters
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Jun Kang
- Lawrence Berkeley Natl Lab
Authors
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Jun Kang
- Lawrence Berkeley Natl Lab
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Lin-Wang Wang
- JCAP, Lawrence Berkeley National Laboratory
- Lawrence Berkeley Natl Lab
- Lawrence Berkeley National Laboratory
- Materials Sciences Division, Lawrence Berkeley National Laboratory
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Frist-Principles Study on the Intrinsic Point Defects in the Quasi-One-Dimensional Photovoltaic Semiconductor Sb<sub>2</sub>Se<sub>3</sub>
ORAL
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Presenters
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Menglin Huang
- East China Normal University
Authors
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Menglin Huang
- East China Normal University
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Dan Han
- East China Normal University
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Shiyou Chen
- East China Normal University
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Ab-initio phonon-defect scattering and thermal conductivity of Graphene, Si, Diamond, InN and BAs
ORAL
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Presenters
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Carlos Polanco
- Materials Science and Technology Division, Oak Ridge National Laboratory
- Oak Ridge National Lab
Authors
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Carlos Polanco
- Materials Science and Technology Division, Oak Ridge National Laboratory
- Oak Ridge National Lab
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Lucas Lindsay
- Materials Science & Technology Division, Oak Ridge National Lab
- Oak Ridge National Lab
- Materials Science and Technology Division, Oak Ridge National Laboratory
- Oak Ridge National Laboratory
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