Tuesday, March 6, 2018
11:15AM - 11:51AM
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F11.00001: Theoretical studies of defects in oxide thin films
Invited Speaker:
Ulrich Aschauer
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Tuesday, March 6, 2018
11:51AM - 12:03PM
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F11.00002: HSE hybrid functional tuned to generalized Koopmans condition for defect calculations in GaN
Denis Demchenko, Michael Reshchikov
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Tuesday, March 6, 2018
12:03PM - 12:15PM
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F11.00003: Ab initio Calculation of Nonradiative Carrier Recombination in Cu2ZnSnS4
Ji-Qiang Li, Zhen-Kun Yuan, Shiyou Chen, Xingao Gong, Suhuai Wei
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Tuesday, March 6, 2018
12:15PM - 12:27PM
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F11.00004: Grown-in beryllium diffusion in indium gallium arsenide: An ab initio, continuum theory and kinetic Monte Carlo study
Wenyuan Liu, Siew Ann Cheong, Mahasin Alam Sk, Sergei Manzhos, Ignacio Martin-Bragado, Francis Benistant
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Tuesday, March 6, 2018
12:27PM - 12:39PM
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F11.00005: Magnetic Behavior of As-antisite Defect in Low-temperature GaAs from First-principles Bandstructure with Spin Orbit Interaction
Mary Clare Escano, Yu Osanai, Masahiko Tani
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Tuesday, March 6, 2018
12:39PM - 12:51PM
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F11.00006: Treatment of defects and defect levels in ternary alloys using special quasirandom structures: InGaAs
Peter Schultz
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Tuesday, March 6, 2018
12:51PM - 1:03PM
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F11.00007: Descriptor-based approach for the prediction of cation vacancy formation energies and transition levels
Joel Varley, Amit Samanta, Vincenzo Lordi
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Tuesday, March 6, 2018
1:03PM - 1:15PM
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F11.00008: Atomic-scale study of aging effects in poly-crystalline CdTe solar cell
Jinglong Guo, Fatih Sen, Luhua Wang, Seungjin Nam, Moon Kim, Maria Chan, Robert Klie
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Tuesday, March 6, 2018
1:15PM - 1:27PM
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F11.00009: Dangling bond defects in SiC: an ab initio study
Blair Tuttle
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Tuesday, March 6, 2018
1:27PM - 1:39PM
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F11.00010: Unraveling the role of vacancies in potentially promising thermoelectric Ba8ZnxGe46-x-y■y clathrates
Saswata Bhattacharya, Amrita Bhattacharya
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Tuesday, March 6, 2018
1:39PM - 1:51PM
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F11.00011: First-principles calculations on intrinsic point defects in CsPbBr3
Jun Kang, Lin-Wang Wang
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Tuesday, March 6, 2018
1:51PM - 2:03PM
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F11.00012: Frist-Principles Study on the Intrinsic Point Defects in the Quasi-One-Dimensional Photovoltaic Semiconductor Sb2Se3
Menglin Huang, Dan Han, Shiyou Chen
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Tuesday, March 6, 2018
2:03PM - 2:15PM
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F11.00013: Ab-initio phonon-defect scattering and thermal conductivity of Graphene, Si, Diamond, InN and BAs
Carlos Polanco, Lucas Lindsay
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