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

15 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

Fingerprint

formalism
Isotopes
Electrons
Electron-phonon interactions
Boron
Fermi surface
Superconducting transition temperature
Specific heat
Momentum
Anisotropy
isotope effect
boron isotopes
electrons
electron phonon interactions
pseudopotentials
Fermi surfaces
temperature effects
transition temperature
specific heat
exponents

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

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title = "First-principles calculation of the superconducting transition in (formula presented) within the anisotropic Eliashberg formalism",
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.",
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First-principles calculation of the superconducting transition in (formula presented) within the anisotropic Eliashberg formalism. / Choi, Hyoung Joon; Roundy, David; Sun, Hong; Cohen, Marvin L.; Louie, Steven G.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 66, No. 2, 01.01.2002, p. 1-4.

Research output: Contribution to journalArticle

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AU - Choi, Hyoung Joon

AU - Roundy, David

AU - Sun, Hong

AU - Cohen, Marvin L.

AU - Louie, Steven G.

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N2 - 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.

AB - 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.

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