Giant anharmonicity and nonlinear electron-phonon coupling in MgB2: A combined first-principles calculation and neutron scattering study

T. Yildirim, O. Gülseren, J. W. Lynn, C. M. Brown, T. J. Udovic, Q. Huang, N. Rogado, K. A. Regan, M. A. Hayward, J. S. Slusky, T. He, M. K. Haas, P. Khalifah, K. Inumaru, R. J. Cava

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Abstract

First-principle calculations of the lattice dynamics and electronic band structure were carried out for MgB2 superconductor. The inelastic neutron scattering measurements of the phonon density of states were also determined. The giant anharmonicity and nonlinear electron-phonon coupling in MgB2 was also studied. The results showed that the harmonic phonon energy in-plane boron phonons near the zone center are very anharmonic and strongly coupled to the planar bands near the Fermi level.

Original languageEnglish (US)
Article number037001
Pages (from-to)370011-370014
Number of pages4
JournalPhysical review letters
Volume87
Issue number3
StatePublished - Jul 16 2001

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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