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Giant Anharmonicity and Nonlinear Electron-Phonon Coupling inMgB2: A Combined First-Principles Calculation and Neutron Scattering Study

2001/03/31 by Taner Yildirim, T. Yildirim, Oğuz Gülseren +22 · 1 citation
Materials Science · Physics and Astronomy · #Anharmonicity #Boron and Carbon Nanomaterials Research #Condensed matter physics #Coupling (piping) #Inelastic neutron scattering #Materials science #Neutron scattering #Phonon #Physics #Physics of Superconductivity and Magnetism #Quantum mechanics #Scattering #Superconductivity #Superconductivity in MgB2 and Alloys #cond-mat.mtrl-sci #cond-mat.supr-con

paper · pdf · doi:10.1103/physrevlett.87.037001

published as Phys. Rev. Lett. 87, 037001 (2001) · In this revised version (to appear in PRL) we also discuss the boron isotope effect. Please visit http://www.ncnr.nist.gov/staff/taner/mgb2 for details

arxiv created 2001/04/26 · openalex publication_date 2001/06/26 · arxiv updated 2009/11/30 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05

Abstract

First-principles calculations of the electronic band structure and lattice dynamics for the new superconductor MgB (2) are carried out and found to be in excellent agreement with our inelastic neutron scattering measurements. The numerical results reveal that the E(2g) in-plane boron phonons near the zone center are very anharmonic and strongly coupled to the planar B sigma bands near the Fermi level. This giant anharmonicity and nonlinear electron-phonon coupling is key to quantitatively explaining the observed high T(c) and boron isotope effect in MgB (2).

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