First-principles calculation of the superconducting transition in (formula presented) within the anisotropic Eliashberg formalism

Hyoung Joon Choi, David Roundy, Hong Sun, Marvin L. Cohen, Steven G. Louie

Research output: Contribution to journalArticle

23 Citations (Scopus)

Abstract

We present a study of the superconducting transition in (formula presented) using the ab initio pseudopotential density-functional method, a fully anisotropic Eliashberg equation, and a conventional estimate for (formula presented) 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 (formula presented) a transition temperature (formula presented) and a boron isotope-effect exponent (formula presented) The calculated values for (formula presented) (formula presented) and (formula presented) are in excellent agreement with transport, specific-heat, and isotope-effect measurements, respectively. The individual values of the electron-phonon coupling (formula presented) on the various pieces of the Fermi surface, however, vary from 0.1 to 2.5. The observed (formula presented) 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.

Original languageEnglish
Pages (from-to)1-4
Number of pages4
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume66
Issue number2
DOIs
Publication statusPublished - 2002 Jan 1

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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