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    Giant Anharmonicity and Nonlinear Electron-Phonon Coupling in MgB2: A Combined First-Principles Calculation and Neutron Scattering Study

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    Issue Date
    2001-03-22
    Author
    Yildirim, T.
    Gülseren, O.
    Lynn, J. W.
    Brown, C. M.
    Udovic, T. J.
    Huang, Q.
    Rogado, N.
    Regan, K. A.
    Hayward, M. A.
    Slusky, Joanna
    He, T.
    Haas, M. K.
    Khalifah, P.
    Inumaru, K.
    Cava, R. J.
    Publisher
    American Physical Society
    Type
    Article
    Article Version
    Scholarly/refereed, publisher version
    Rights
    ©2001 American Physical Society
    Metadata
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    Abstract
    First-principles calculations of the electronic band structure and lattice dynamics for the new superconductor MgB2 are carried out and found to be in excellent agreement with our inelastic neutron scattering measurements. The numerical results reveal that the E2g in-plane boron phonons near the zone center are very anharmonic and strongly coupled to the planar B σ bands near the Fermi level. This giant anharmonicity and nonlinear electron-phonon coupling is key to quantitatively explaining the observed high Tc and boron isotope effect in MgB2.
    URI
    http://hdl.handle.net/1808/21745
    DOI
    https://doi.org/10.1103/PhysRevLett.87.037001
    Collections
    • Molecular Biosciences Scholarly Works [582]
    Citation
    Yildirim, T., Gülseren, O., Lynn, J. W., Brown, C. M., Udovic, T. J., Huang, Q., ... & He, T. (2001). Giant anharmonicity and nonlinear electron-phonon coupling in MgB 2: a combined first-principles calculation and neutron scattering study. Physical review letters, 87(3), 037001.

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    Contact KU ScholarWorks
    785-864-8983
    KU Libraries
    1425 Jayhawk Blvd
    Lawrence, KS 66045
    785-864-8983

    KU Libraries
    1425 Jayhawk Blvd
    Lawrence, KS 66045
    Image Credits
     

     

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