Calculation of Quantum Tunneling for a Spatially Extended Defect: The Dislocation Kink in Copper Has a Low Effective Mass

Tejs Vegge, James P. Sethna, Siew-Ann Cheong, K. W. Jacobsen, Christopher R. Myers, and Daniel C. Ralph
Phys. Rev. Lett. 86, 1546 – Published 19 February 2001
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Abstract

Several experiments indicate that there are atomic tunneling defects in plastically deformed metals. How this is possible has not been clear, given the large mass of the metal atoms. Using a classical molecular-dynamics calculation, we determine the structures, energy barriers, effective masses, and quantum tunneling rates for dislocation kinks and jogs in copper screw dislocations. We find that jogs are unlikely to tunnel, but the kinks should have large quantum fluctuations. The kink motion involves hundreds of atoms each shifting a tiny amount, leading to a small effective mass and tunneling barrier.

  • Received 9 March 2000

DOI:https://doi.org/10.1103/PhysRevLett.86.1546

©2001 American Physical Society

Authors & Affiliations

Tejs Vegge1,2, James P. Sethna3, Siew-Ann Cheong3, K. W. Jacobsen1, Christopher R. Myers4, and Daniel C. Ralph3

  • 1Center for Atomic Scale Materials Physics (CAMP) and Department of Physics, Building 307, Technical University of Denmark, DK-2800, Kongens Lyngby, Denmark
  • 2Materials Research Department, Risø National Laboratory, DK-4000 Roskilde, Denmark
  • 3Laboratory of Atomic and Solid State Physics (LASSP), Clark Hall, Cornell University, Ithaca, New York 14853-2501
  • 4Cornell Theory Center, Cornell University, Ithaca, New York 14853

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Vol. 86, Iss. 8 — 19 February 2001

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