Tuesday, March 15, 2016
8:00AM - 8:36AM
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E51.00001: Beyond Graphene: Electronic and Mechanical Properties of Defective 2-D Materials
Invited Speaker:
Humberto Terrones
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Tuesday, March 15, 2016
8:36AM - 8:48AM
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E51.00002: Scalable, Composable Operators for Defect Analysis and Design
Rose Weisburgh, Peter Chung
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Tuesday, March 15, 2016
8:48AM - 9:00AM
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E51.00003: First principle study of the role of oxygen non-stoichiometry in the structure and properties of amorphous InO and InGaO.
Rabi Khanal, Julia Medvedeva
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Tuesday, March 15, 2016
9:00AM - 9:12AM
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E51.00004: Polarization effects in silver delafossite systems
Gihan Panapitiya, James P. Lewis
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Tuesday, March 15, 2016
9:12AM - 9:24AM
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E51.00005: Discriminating a deep defect from shallow acceptors in supercell calculations: gallium antisite in GaAs
Peter Schultz
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Tuesday, March 15, 2016
9:24AM - 9:36AM
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E51.00006: {\em Ab Initio} Modeling of Transition-Metal Impurities in MgO
Sergey V. Levchenko, Sebastian Alarcon Villaseca, Aliaksei Mazheika, Matthias Scheffler
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Tuesday, March 15, 2016
9:36AM - 9:48AM
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E51.00007: Phase Transformations upon Doping in Tungsten Trioxide
Wennie Wang, Anderson Janotti, Chris G. Van de Walle
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Tuesday, March 15, 2016
9:48AM - 10:00AM
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E51.00008: Electronic structure of intrinsic defects in non-stoichiometric amorphous In-Ga-Zn-O semiconductors
Woo Hyun Han, Kee Joo Chang
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Tuesday, March 15, 2016
10:00AM - 10:12AM
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E51.00009: Efficient n-type doping of MoO$_3$
Hartwin Peelaers, Chris G. Van de Walle
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Tuesday, March 15, 2016
10:12AM - 10:24AM
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E51.00010: The Role of Interface Defects on Phase Selection in ZnO/MgO Core/Shell Nanowires
Dominic Critchlow, ZhiNeng Li, Xiao Shen, Claire Marvinney, Yevgeniy Puzyrev, Lida Pan, James McBride, Richard Haglund, Sokrates Pantelides
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Tuesday, March 15, 2016
10:24AM - 10:36AM
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E51.00011: Structure of self-assembled Mn atom chains on Si(001)
Renan Villarreal, Maria Longobardi, Sigrun A. Koester, Christopher J. Kirkham, David Bowler, Christoph Renner
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Tuesday, March 15, 2016
10:36AM - 10:48AM
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E51.00012: Electronic structures in SiC/SiO2 interface from first-principles calculation -Roles of peculiar electron states floating in internal space-
Yu-ichiro Matsushita, Mauro Boero, Atsushi Oshiyama
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Tuesday, March 15, 2016
10:48AM - 11:00AM
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E51.00013: Ab initio study of the effect of vacancies on the thermal conductivity
Nakib Protik, Jesus Carrete, Natalio Mingo, Nebil Katcho, David Broido
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