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

Abstract

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} .

Authors:
; ; ; ; ; ; ; ; ;  [1]
  1. and others
Publication Date:
Sponsoring Org.:
(US)
OSTI Identifier:
40277127
Resource Type:
Journal Article
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 87; Journal Issue: 3; Other Information: DOI: 10.1103/PhysRevLett.87.037001; Othernumber: PRLTAO000087000003037001000001; 024128PRL; PBD: 16 Jul 2001; Journal ID: ISSN 0031-9007
Publisher:
The American Physical Society
Country of Publication:
United States
Language:
English
Subject:
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; BORON; BORON ISOTOPES; ELECTRON-PHONON COUPLING; FERMI LEVEL; NEUTRONS; PHONONS; SCATTERING; SUPERCONDUCTORS

Citation Formats

Yildirim, T, Guelseren, O, Lynn, J W, Brown, C M, Udovic, T J, Huang, Q, Rogado, N, Regan, K A, Hayward, M A, and Slusky, J S. Giant Anharmonicity and Nonlinear Electron-Phonon Coupling in MgB{sub 2} : A Combined First-Principles Calculation and Neutron Scattering Study. United States: N. p., 2001. Web. doi:10.1103/PhysRevLett.87.037001.
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. Giant Anharmonicity and Nonlinear Electron-Phonon Coupling in MgB{sub 2} : A Combined First-Principles Calculation and Neutron Scattering Study. United States. https://doi.org/10.1103/PhysRevLett.87.037001
Yildirim, T, Guelseren, O, Lynn, J W, Brown, C M, Udovic, T J, Huang, Q, Rogado, N, Regan, K A, Hayward, M A, and Slusky, J S. 2001. "Giant Anharmonicity and Nonlinear Electron-Phonon Coupling in MgB{sub 2} : A Combined First-Principles Calculation and Neutron Scattering Study". United States. https://doi.org/10.1103/PhysRevLett.87.037001.
@article{osti_40277127,
title = {Giant Anharmonicity and Nonlinear Electron-Phonon Coupling in MgB{sub 2} : A Combined First-Principles Calculation and Neutron Scattering Study},
author = {Yildirim, T and Guelseren, O and Lynn, J W and Brown, C M and Udovic, T J and Huang, Q and Rogado, N and Regan, K A and Hayward, M A and Slusky, J S},
abstractNote = {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} .},
doi = {10.1103/PhysRevLett.87.037001},
url = {https://www.osti.gov/biblio/40277127}, journal = {Physical Review Letters},
issn = {0031-9007},
number = 3,
volume = 87,
place = {United States},
year = {Mon Jul 16 00:00:00 EDT 2001},
month = {Mon Jul 16 00:00:00 EDT 2001}
}