Focus Session: Computational Nanoscience III: Defects, Doping, and Structure

Presentations

• Intrinsic magnetism in nonmagnetic nanostructures: Role of localized states and quantum confinement.

  COFFEE_KLATCH · Invited

  March 16, 2009, 2:30 PM – March 16, 2009, 3:06 PM

  Authors

  • Peihong Zhang

    • Physics Department, University at Buffalo, Buffalo, NY 14260
    • Department of Physics, University at Buffalo, State University of New York, Buffalo, NY 14260, USA
    • Department of Physics, University at Buffalo,State University of New York
    • University at Buffalo, SUNY
    • SUNY Buffalo

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• Defect induced magnetism in semiconductor nanostructures

  ORAL

  March 16, 2009, 3:06 PM – March 16, 2009, 3:18 PM

  Authors

  • Hyunwook Kwak

    • University of Minnesota

  • Tzu-Liang Chan

    • University of Texas at Austin
    • University of Texas

  • James Chelikowsky

    • The University of Texas at Austin
    • University of Texas at Austin
    • University of Texas, Austin
    • University of Texas, Austin, TX
    • UT Austin
    • University of Texas

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• Ferromagnetism driven by extended defects in nanostructured ZnO

  ORAL

  March 16, 2009, 3:18 PM – March 16, 2009, 3:30 PM

  Authors

  • Aline L. Schoenhalz

    • Universidade Federal do ABC

  • Jeverson T. Arantes

    • Universidade Federal do ABC

  • Adalberto Fazzio

    • Universidade Federal do ABC

  • Gustavo M. Dalpian

    • Universidade Federal do ABC

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• Self-doping in Boron Nanostructures

  ORAL

  March 16, 2009, 3:30 PM – March 16, 2009, 3:42 PM

  Authors

  • Hui Tang

    • Department of Applied Physics, Yale University
    • Yale University,

  • Sohrab Ismail-Beigi

    • Yale, CRISP
    • Department of Physics, Yale University
    • Yale University
    • Department of Applied Physics, Yale University
    • Department of Applied Physics and Physics and Center for Research on Interface Structures and Phenomena (CRISP), Yale University

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• Computational Studies of Nanostructures of Boron

  ORAL

  March 16, 2009, 3:42 PM – March 16, 2009, 3:54 PM

  Authors

  • P. Tandy

    • University of Louisville

  • M. Yu

    • University of Louisville

  • C. Leahy

    • University of Louisville

  • W.Q. Tian

    • Jilin University, China
    • Jilin University

  • S.Y. Wu

    • University of Louisville

  • C.S. Jayanthi

    • University of Louisville

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• An efficient method to use \textit{ab-initio} calculations to study substitutional order in nanoparticles

  ORAL

  March 16, 2009, 3:54 PM – March 16, 2009, 4:06 PM

  Authors

  • Gerbrand Ceder

    • MIT
    • Massachusetts Institute of Technology

  • Tim Mueller

    • Massachusetts Institute of Technology

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• Graph-based global optimization of fully-coordinated cluster geometries

  ORAL

  March 16, 2009, 4:06 PM – March 16, 2009, 4:18 PM

  Authors

  • Edwin Flikkema

    • Aberystwyth University, UK

  • Stefan Bromley

    • Universitat de Barcelona, Spain

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• Nanostructure determination from the atomic pair distribution function

  ORAL

  March 16, 2009, 4:18 PM – March 16, 2009, 4:30 PM

  Authors

  • Luke Granlund

    • Michigan State University

  • Pavol Juhas

    • Columbia University

  • Saurabh Gujarathi

    • Michigan State University

  • Phil Duxbury

    • Michigan State University

  • Simon Billinge

    • Columbia University

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• The role of confinement on the diffusion barriers in semiconductor nanocrystals

  ORAL

  March 16, 2009, 4:30 PM – March 16, 2009, 4:42 PM

  Authors

  • Tzu-Liang Chan

    • University of Texas at Austin
    • University of Texas

  • Alexey Zayak

    • University of Texas at Austin

  • Gustavo Dalpian

    • Centro de Ciencias Naturais e Humanas, Universidade Federal do ABC, Santo Andre, SP, Brazil
    • Universidade Federal do ABC

  • James Chelikowsky

    • The University of Texas at Austin
    • University of Texas at Austin
    • University of Texas, Austin
    • University of Texas, Austin, TX
    • UT Austin
    • University of Texas

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• Accelerated Kinetic Monte Carlo Simulations of Vacancy-Mediated Arsenic Diffusion and Clustering in Silicon

  ORAL

  March 16, 2009, 4:42 PM – March 16, 2009, 4:54 PM

  Authors

  • Brian Puchala

    • University of Michigan

  • Michael Falk

    • Johns Hopkins University
    • The Johns Hopkins University

  • Krishna Garikipati

    • University of Michigan

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• First Principles Study of the Effect of Lattice Strain on Diffusion Barriers

  ORAL

  March 16, 2009, 4:54 PM – March 16, 2009, 5:06 PM

  Authors

  • Handan Yildirim

    • University of Central Florida

  • Talat S. Rahman

    • University of Central Florida

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• Quantum confinement in P-doped Si[110] nanowires

  ORAL

  March 16, 2009, 5:06 PM – March 16, 2009, 5:18 PM

  Authors

  • Jiaxin Han

    • University of Texas at Austin

  • Tzu-Liang Chan

    • University of Texas at Austin
    • University of Texas

  • James Chelikowsky

    • The University of Texas at Austin
    • University of Texas at Austin
    • University of Texas, Austin
    • University of Texas, Austin, TX
    • UT Austin
    • University of Texas

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• Effect of structure, surface passivation, and doping on the electronic and optical properties of GaAs nanowires: A first principles study.

  ORAL

  March 16, 2009, 5:18 PM – March 16, 2009, 5:30 PM

  Authors

  • S. V. Khare

    • Dept. of Physics

  • V. Gade

    • Dept. of EECS, University of Toledo

  • N. Shi

    • Dept. of Chemical, Materials, and Biomolecular Engineering, Univ. of Connecticut

  • R. Ramprasad

    • Dept. of Chemical, Materials, and Biomolecular Engineering, Univ. of Connecticut

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