First-Principles Calculation of the Superconducting Transition in MgB2 within the Anisotropic Eliashberg Formalism

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dc.creatorChoi, Hyoung Joon
dc.creatorRoundy, David
dc.creatorSun, Hong
dc.creatorCohen, Marvin L.
dc.creatorLouie, Steven G.
dc.date2001-11-09
dc.date.accessioned2026-07-07T12:37:40Z
dc.date.available2026-07-07T12:37:40Z
dc.descriptionWe present a study of the superconducting transition in MgB2 using the ab-initio pseudopotential density functional method and the fully anisotropic Eliashberg equation. Our study shows that the anisotropic Eliashberg equation, constructed with ab-initio calculated momentum-dependent electron-phonon interaction and anharmonic phonon frequencies, yields an average electron-phonon coupling constant lambda = 0.61, a transition temperature Tc = 39 K, and a boron isotope-effect exponent alphaB = 0.31 with a reasonable assumption of mu* = 0.12. The calculated values for Tc, lambda, and alphaB are in excellent agreement with transport, specific heat, and isotope effect measurements respectively. The individual values of the electron-phonon coupling lambda(k,k') on the various pieces of the Fermi surface however vary from 0.1 to 2.5. The observed Tc is a result of both the raising effect of anisotropy in the electron-phonon couplings and the lowering effect of anharmonicity in the relevant phonon modes.
dc.description4 pages, 3 figures, 1 table
dc.identifierhttps://arxiv.org/abs/cond-mat/0111182
dc.identifierhttp://arxiv.org/abs/cond-mat/0111182
dc.identifierPhys.Rev.B66:020513,2002
dc.identifierdoi:10.1103/PhysRevB.66.020513
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/218516
dc.subjectSuperconductivity
dc.titleFirst-Principles Calculation of the Superconducting Transition in MgB2 within the Anisotropic Eliashberg Formalism
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