Physics – Condensed Matter – Superconductivity
Scientific paper
2001-11-09
Phys.Rev.B66:020513,2002
Physics
Condensed Matter
Superconductivity
4 pages, 3 figures, 1 table
Scientific paper
10.1103/PhysRevB.66.020513
We 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.
Choi Hyoung Joon
Cohen Marvin L.
Louie Steven G.
Roundy David
Sun Hong
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