Wednesday, March 23, 2011
8:00AM - 8:12AM
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P11.00001: Hybrid functional calculations for defects in TiO$_2$
Chris Van de Walle, Joel Varley, Anderson Janotti
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Wednesday, March 23, 2011
8:12AM - 8:24AM
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P11.00002: Bandgap properties of amorphous TiO2 (aTiO2)
M. Kylee Underwood, Binay Prasai, Bin Cai, David A. Drabold, James P. Lewis
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Wednesday, March 23, 2011
8:24AM - 8:36AM
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P11.00003: Evidences for Ti-N anchoring in organic dyes on TiO2 and its influence on photovoltaic performance
Yang Jiao, Sheng Meng
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Wednesday, March 23, 2011
8:36AM - 8:48AM
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P11.00004: First Principles Study on Ta$_{2}$O$_{5}$ Polymorphs
Yuning Wu, Hai-Ping Cheng, Lan Li
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Wednesday, March 23, 2011
8:48AM - 9:00AM
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P11.00005: What is the G$^{0}$W$^{0}$ band gap of ZnO?
M. Stankovski, G. Antonius, D. Waroquiers, A. Miglio, H. Dixit, P. Rinke, H. Jiang, M. Giantomassi, X. Gonze, M. C\^{o}t\'{e}, G.-M. Rignanese
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Wednesday, March 23, 2011
9:00AM - 9:12AM
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P11.00006: Energies of formation and electronic band structure of Zn-IV-N$_{2}$ semiconductors
Atchara Punya, Walter R.L. Lambrecht
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Wednesday, March 23, 2011
9:12AM - 9:24AM
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P11.00007: Structural and Electronic properties of $\beta$-In$_{2}$X$_{3}$ (X = O, S, Se, Te) using \emph{ab initio} calculations
S.V. Khare, S. Marsillac, N.S. Mangale, V. Gade
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Wednesday, March 23, 2011
9:24AM - 9:36AM
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P11.00008: ABSTRACT WITHDRAWN
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Wednesday, March 23, 2011
9:36AM - 9:48AM
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P11.00009: The surface passivation effects on the optical response of small CdTe quantum dots
Osman Baris Malcioglu, Jean-Yves Raty
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Wednesday, March 23, 2011
9:48AM - 10:00AM
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P11.00010: First-principles study of the electronic structure of NiS and NiO
Joaquin Noyola, Meng Tao, Qiming Zhang
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Wednesday, March 23, 2011
10:00AM - 10:12AM
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P11.00011: Tight-binding based alloy scattering calculations in Si$_{1-x}$Ge$_{x}$
Saumitra Mehrotra, Abhijeet Paul, Gerhard Klimeck
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Wednesday, March 23, 2011
10:12AM - 10:24AM
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P11.00012: Predicting the Direct to Indirect Transition in III-V Alloys
Jeremy Nicklas, John Wilkins
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Wednesday, March 23, 2011
10:24AM - 10:36AM
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P11.00013: Hybrid DFT computes accurate band offsets of semiconductor alloy heterostructures
Amita Wadehra, Jeremy Nicklas, John Wilkins
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Wednesday, March 23, 2011
10:36AM - 10:48AM
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P11.00014: Electronic Structure of Random Alloys
Chad Waxler, Byounghak Lee, Xavier Cartoix\'{a}
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Wednesday, March 23, 2011
10:48AM - 11:00AM
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P11.00015: Atomic-scale evolution of interfacial electronic band alignment in epitaxial Gd$_{2}$O$_{3}$ on GaAs (100)
B.C. Huang, Y.P. Chiu, M.C. Shih, J.Y. Shen, P. Chang, T.H. Chiang, C.S. Chang, M.L. Huang, M. Hong, J. Kwo
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