Giant Anharmonicity and Nonlinear Electron-Phonon Coupling in MgB{sub 2} : A Combined First-Principles Calculation and Neutron Scattering Study

Journal Article · Mon Jul 16 00:00:00 EDT 2001 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.87.037001· OSTI ID:40277127

Yildirim, T; Guelseren, O; Lynn, J W; Brown, C M; Udovic, T J; Huang, Q; Rogado, N; Regan, K A; Hayward, M A; Slusky, J S ^[1]

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1. and others

First-principles calculations of the electronic band structure and lattice dynamics for the new superconductor MgB{sub 2} are carried out and found to be in excellent agreement with our inelastic neutron scattering measurements. The numerical results reveal that the E{sub 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{sub c} and boron isotope effect in MgB{sub 2} .

• Sponsoring Organization: (US)
• OSTI ID: 40277127
• Journal Information: Physical Review Letters, Vol. 87, Issue 3; Other Information: DOI: 10.1103/PhysRevLett.87.037001; Othernumber: PRLTAO000087000003037001000001; 024128PRL; PBD: 16 Jul 2001; ISSN 0031-9007
• Publisher: The American Physical Society
• Country of Publication: United States
• Language: English

Related Subjects

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
BORON
BORON ISOTOPES
ELECTRON-PHONON COUPLING
FERMI LEVEL
NEUTRONS
PHONONS
SCATTERING
SUPERCONDUCTORS