First-Principles Calculation of the Superconducting Transition in MgB2 within the Anisotropic Eliashberg Formalism
By H. Choi, David Roundy, Hong-xiang Sun, Marvin L. Cohen, Steven G. Louie. 2001
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We present a study of the superconducting transition in MgB2 using the ab initio pseudopotential density-functional method, a fully anisotropic Eliashberg equation, and a conventional estimate for mu*. 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 T-sub c = 39 K, and a boron isotope-effect exponent alpha-sub B = 0.32. The calculated values for T-sub c, lambda, and alpha-sub B are in excellent agreement with transport, specific-heat,and isotope-effect measurements, respectively. The individual values of the electron-phonon coupling lambda (k,k-prime) on the various pieces of the Fermi surface, however, vary from 0.1 to 2.5. The observed T-sub c 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.
Subfields: Condensed Matter Physics, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/87accb7d27e618231ac7d59490ecca66ad5e00ba
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In Condensed Matter Physics
In Materials Chemistry
Citations in the corpus
- Two-band superconductor magnesium diboride (2008, methodology): “61 by Choi et al (obtained from integration of λ(k, k′) over the Fermi surface [94, 103]) and λσσ = 0.”