Wednesday, March 5, 2014
11:15AM - 11:27AM
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M45.00001: Ab-initio Calculations of Accurate Electronic Properties of ZnS
Bethuel Khamala, Loushanda Franklin, Yuriy Malozovski, Anthony Stewart, Diola Bagayoko
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Wednesday, March 5, 2014
11:27AM - 11:39AM
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M45.00002: Inverted band structure and excitons in halide perovskites
Walter R.L. Lambrecht, Ling-yi Huang
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Wednesday, March 5, 2014
11:39AM - 11:51AM
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M45.00003: Origin of the failed ensemble averaged rule for the band gaps of the disordered nonisovalent semiconductor alloys
Jie Ma, Hui-Xiong Deng, Jun-Wei Luo, Su-Huai Wei
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Wednesday, March 5, 2014
11:51AM - 12:03PM
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M45.00004: An $O(h^{2})$ Coulomb singularity correction for the Bethe-Salpeter equation
Daniel Aberg, Babak Sadigh, Andre Schleife, Tomas Oppelstrup
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Wednesday, March 5, 2014
12:03PM - 12:15PM
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M45.00005: The effect of semicore electrons on the polarizability and band gaps in \textit{ab initio }planewave-pseudopotential (PW-PP) GW calculations
Derek Vigil-Fowler, Brad Malone, Steven Louie
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Wednesday, March 5, 2014
12:15PM - 12:27PM
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M45.00006: Electrical Analogues of Optical {\&} EELS Spectra: Silicon
David Y. Smith, William Karstens
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Wednesday, March 5, 2014
12:27PM - 12:39PM
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M45.00007: Zero-point motion effect on the bandgap of diamond: validation of codes
Samuel Ponc\'e, Gabriel Antonius, Paul Boulanger, Elena Cannuccia, Andrea Marini, Michel C\^ot\'e, Xavier Gonze
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Wednesday, March 5, 2014
12:39PM - 12:51PM
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M45.00008: Carrier separation at intra-grain partial dislocation pairs in CdTe
Yelong Wu, Chen Li, Stephen Pennycook, Wanjian Yin, Yanfa Yan, Mowafak Al-Jassim
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Wednesday, March 5, 2014
12:51PM - 1:03PM
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M45.00009: Electronic Structure of Perovskite Solid Solutions (SrTiO$_{3})_{\mathrm{1-x}}$(LaTiO$_{2}$N)$_{\mathrm{x}}$
Naoto Umezawa, Anderson Janotti
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Wednesday, March 5, 2014
1:03PM - 1:15PM
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M45.00010: Electronic structure of p-type transparent conducting oxide CuAlO$_2$
Sung-Kwan Mo, Joonseok Yoon, Xiaosong Liu, Wanli Yang, Bongjin Mun, Honglyoul Ju
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Wednesday, March 5, 2014
1:15PM - 1:27PM
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M45.00011: Electronic and optical properties of tantalum pentoxide polymorphs from first principles calculations
Jihang Lee, Emmanouil Kioupakis, Wei Lu
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Wednesday, March 5, 2014
1:27PM - 1:39PM
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M45.00012: ABSTRACT WITHDRAWN
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Wednesday, March 5, 2014
1:39PM - 1:51PM
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M45.00013: Applicability check of ZnO crystals for device applications
Mithun Bhowmick, Bruno Ullrich, David Ariza, Haowen Xi
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Wednesday, March 5, 2014
1:51PM - 2:03PM
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M45.00014: Real-time Approach for Core-hole Dynamics in X-ray Spectra
Andrew Lee, John Rehr, Fernando Vila
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Wednesday, March 5, 2014
2:03PM - 2:15PM
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M45.00015: The First Picosecond after Sunlight Absorption in Si, GaAs, and CdTe from First-Principles Calculations
Marco Bernardi, Jeffrey B. Neaton, Steven G. Louie
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