Monday, March 3, 2014
11:15AM - 11:51AM
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B31.00001: Associating Specific Materials with Topological Insulation Behavior
Invited Speaker:
Xiuwen Zhang
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Monday, March 3, 2014
11:51AM - 12:03PM
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B31.00002: Determination of ground-state structure of perovskite super- lattices from first principles
Yuanjun Zhou, Karin Rabe
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Monday, March 3, 2014
12:03PM - 12:15PM
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B31.00003: Ab initio search for new $p$-type transparent conductors among oxide sulfides
Kanber Lam, Giancarlo Trimarchi, Arthur J. Freeman, Kenneth Poeppelmeier, Alex Zunger
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Monday, March 3, 2014
12:15PM - 12:27PM
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B31.00004: First-principles data-driven discovery of new low-band-gap oxides for solar energy capture and conversion
Qimin Yan, Wei Chen, Anubhav Jain, Kristin Persson, Jeffery B. Neaton
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Monday, March 3, 2014
12:27PM - 12:39PM
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B31.00005: Origin of the large $p$-type conductivity in the misfit layered La$_5$Cu$_6$O$_4$S$_7$ oxide sulfide: a first-principles study
Arthur J. Freeman, Jino Im, Kanber Lam, Giancarlo Trimarchi, Kenneth R. Poeppelmier
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Monday, March 3, 2014
12:39PM - 12:51PM
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B31.00006: Structurally unstable III-Bi-O$_3$ perovskites are predicted to be topological insulators but their stable structural forms are just band insulators: A first principles study
Giancarlo Trimarchi, Arthur J. Freeman, Xiuwen Zhang, Alex Zunger
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Monday, March 3, 2014
12:51PM - 1:03PM
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B31.00007: A new class of polar mott-insulators via heterostructruring
Chanul Kim, Hyowon Park, Chris Marianetti
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Monday, March 3, 2014
1:03PM - 1:15PM
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B31.00008: Room-temperature quantum spin Hall effect in HgTe honeycomb superlattices
Cristiane Morais Smith, Wouter Beugeling, Efterpi Kalesaki, Y.-M. Niquet, Christophe Delerue, Daniel Vanmaekelbergh
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Monday, March 3, 2014
1:15PM - 1:27PM
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B31.00009: Development of (MnO)$_{\mathrm{1-x}}$(ZnO)$_{\mathrm{x}}$ Alloys for Water Splitting Applications
Paul Ndione, Emily Warren, Haowei Peng, Stephan Lany, David Ginley, Andriy Zakutayev
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Monday, March 3, 2014
1:27PM - 1:39PM
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B31.00010: Prediction of novel, Earth abundant Cu2O based alloys for PV applications
Vladan Stevanovic, Stephan Lany
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Monday, March 3, 2014
1:39PM - 1:51PM
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B31.00011: Identifying Solid Sorbents for CO$_{2}$ Capture Technology by \textit{ab initio} Thermodynamic Approach
Yuhua Duan
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Monday, March 3, 2014
1:51PM - 2:03PM
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B31.00012: First-principles design of organo-Sn polymeric dielectrics
Huan Tran, Arun Kumar, Chenchen Wang, Aaron Baldwin, Rui Ma, Gregory Sotzing, Rampi Ramprasad
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