Prediction of superconducting properties of CaB2 using anisotropic Eliashberg theory

Hyoung Joon Choi, Steven G. Louie, Marvin L. Cohen

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

Superconducting properties of hypothetical simple hexagonal CaB2 are studied using the fully anisotropic Eliashberg formalism based on electronic and phononic structures and electron-phonon interactions, which are obtained from ab initio pseudopotential density-functional calculations. The superconducting transition temperature Tc, the superconducting energy gap Δ (k) on the Fermi surface, and the specific heat are obtained and compared with corresponding properties of MgB2. Our results suggest that CaB2 will have a higher Tc and a stronger two-gap nature, with a larger Δ (k) in the σ bands but a smaller Δ (k) in the π bands than MgB2.

Original languageEnglish
Article number064503
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume80
Issue number6
DOIs
Publication statusPublished - 2009 Aug 7

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Electron-phonon interactions
Fermi surface
Superconducting transition temperature
Specific heat
Density functional theory
Energy gap
electron phonon interactions
predictions
pseudopotentials
Fermi surfaces
transition temperature
specific heat
formalism
electronic structure

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

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Prediction of superconducting properties of CaB2 using anisotropic Eliashberg theory. / Choi, Hyoung Joon; Louie, Steven G.; Cohen, Marvin L.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 80, No. 6, 064503, 07.08.2009.

Research output: Contribution to journalArticle

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