Focus Session: Nanoscale Conductance Theory I

Presentations

• Conductance Through Single Organometallic Molecules

  COFFEE_KLATCH · Invited

  March 15, 2006, 2:30 PM – March 15, 2006, 3:06 PM

  Authors

  • Harold Baranger

    • Duke University
    • Duke U, Karlsruhe U, Budapest U, and LPTMS Orsay

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• Negative differential resistance (NDR) of ferrocenyl-alkanethiolate on the Au (111) surface

  ORAL

  March 15, 2006, 3:06 PM – March 15, 2006, 3:18 PM

  Authors

  • Shuchun Wang

    • NC State U.

  • Wenchang Lu

  • Qingzhong Zhao

  • Jerry Bernholc

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• Exploring the lead dependence of single-molecule conductance from first principles: The case of H$_{2}$ molecular junctions

  ORAL

  March 15, 2006, 3:18 PM – March 15, 2006, 3:30 PM

  Authors

  • Amy Khoo

    • Department of Physics UC Berkeley
    • Dept of Physics, UC Berkeley

  • Jeffrey Neaton

    • The Molecular Foundry, Materials Sciences Division, Lawrence Berkeley National Laboratory
    • The Molecular Foundry, LBNL
    • The Molecular Foundry, Material Science Devision, Lawrence Berkeley National Laboratory, Berkeley CA 94720

  • Steven Louie

    • Department of Physics, University of California, Berkeley \& The Molecular Foundry, Materials Sciences Division,Lawrence Berkeley National Laboratory
    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • UC Berkeley and Lawrence Berkeley National Laboratory
    • Department of Physics, University of California at Berkeley and Materials Sciences Division, LBNL
    • Dept of Physics, UC Berkeley, The Molecular Foundry, LBNL
    • University of California at Berkeley
    • Department of Physics, University of California at Berkeley and Materials Sciences Divisions, LBNL

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• Electronic level alignment at metal-molecule interfaces from first principles

  ORAL

  March 15, 2006, 3:30 PM – March 15, 2006, 3:42 PM

  Authors

  • Jeffrey B. Neaton

    • The Molecular Foundry, LBNL

  • Mark S. Hybertsen

    • Department of Applied Physics and Applied Mathematics and Center for Transport in Molecular Nanostructures, Columbia University

  • Steven G. Louie

    • The Molecular Foundry, LBNL and Department of Physics, UC-Berkeley

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• Is a molecule a quantum wire or a quantum dot?

  ORAL

  March 15, 2006, 3:42 PM – March 15, 2006, 3:54 PM

  Authors

  • Bhaskaran Muralidharan

    • School of Electrical and Computer Engineering, Purdue University, West Lafayette, IN 47907

  • Avik W. Ghosh

    • University of Virginia
    • Dept. of Electrical and Computer Engineering, University of Virginia, Charlottesvile, VA 22904

  • Supriyo Datta

    • School of Electrical and Computer Enginnering, Purdue University, West Lafayette, IN 47907

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• Constrained LDA ab-initio calculation of screening of charging energy in C60

  ORAL

  March 15, 2006, 3:54 PM – March 15, 2006, 4:06 PM

  Authors

  • Jay Sau

  • Jeffrey Neaton

    • The Molecular Foundry, Materials Sciences Division, Lawrence Berkeley National Laboratory
    • The Molecular Foundry, LBNL
    • The Molecular Foundry, Material Science Devision, Lawrence Berkeley National Laboratory, Berkeley CA 94720

  • Amy Khoo

    • Department of Physics UC Berkeley
    • Dept of Physics, UC Berkeley

  • Hyoung Choi

    • Institute of Physics and Applied Physics, Yonsei University, Seoul, Korea
    • Department of Physics, Yonsei University

  • Steven Louie

  • Marvin L. Cohen

    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • Department of Physics UC Berkeley
    • UC Berkeley

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• Physical manifestation of the Kohn-Sham energy gap in tunneling currents

  ORAL

  March 15, 2006, 4:06 PM – March 15, 2006, 4:18 PM

  Authors

  • Xiaoguang Zhang

    • Center for Nanophase Materials Sciences, and Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831
    • Oak Ridge National Laboratory

  • Zhong-Yi Lu

    • Institute of Theoretical Physics, Chinese Academy of Science

  • Sokrates Pantelides

    • Vanderbilt University
    • Department of Physics and Astronomy, Vanderbilt University, Nashville, TN
    • Department of Physics and Astronomy, Vanderbilt University

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• Semiconductor/Molecule Transport Junctions: An Analytic Form For The Self-Energies

  ORAL

  March 15, 2006, 4:18 PM – March 15, 2006, 4:30 PM

  Authors

  • Vladimiro Mujica

    • Research Professor

  • Mark Ratner

    • Professor
    • Northwestern University

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• Ab initio study of inleastic transport in molecular electronic devices

  ORAL

  March 15, 2006, 4:30 PM – March 15, 2006, 4:42 PM

  Authors

  • Nikolai Sergueev

    • University of Texas at Austin

  • Alex Demkov

    • University of Texas at Austin
    • The University of Texas at Austin

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• Microscopic Current Flow Patterns in Nanoscale Quantum Point Contacts

  ORAL

  March 15, 2006, 4:42 PM – March 15, 2006, 4:54 PM

  Authors

  • Na Sai

    • UCSD

  • Neil Bushong

    • University of California, San Diego

  • Ryan M. Hatcher

    • Vanderbilt University

  • Massimiliano Di Ventra

    • Department of Physics, University of California - San Diego
    • University of California, San Diego
    • University of California - San Diego
    • UCSD

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• Electron transport in molecular devices

  ORAL

  March 15, 2006, 4:54 PM – March 15, 2006, 5:06 PM

  Authors

  • Simone Piccinin

    • Princeton Univeristy - Department of Chemistry

  • Ralph Gebauer

    • ICTP - Trieste (Italy)
    • The Abdus Salam International Centre for Theoretical Physics (ICTP)

  • Roberto Car

    • Department of Chemistry, Princeton University
    • Princeton University - Department of Chemistry
    • Princeton University, Princeton, NJ 08544, US
    • Princeton University

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