A First-principles Prediction of Two-Dimensional Superconductivity in Pristine B2C Single layer

Details A First-principles Prediction of Two-Dimensional Superconductivity in Pristine B2C Single layer A First-principles Prediction of Two-Dimensional Superconductivity in Pristine B2C Single layer

2012-04-09

arxiv.org/abs/1204.1781v1

Physics

Condensed Matter

Materials Science

accepted by Nanoscale

Scientific paper

10.1039/c2nr12018f

Based on first-principles lattice dynamics and electron-phonon coupling calculations, B2C sheet is predicted to be a two-dimensional (2D) phonon-mediated superconductor with a relatively high transition temperature (Tc). The electron-phonon coupling parameter calculated is 0.92, and it is mainly contributed by low frequency out-of-plane phonon modes and electronic states with a {\pi} character. When the Coulomb pseudopotential is set to 0.10, the estimated temperature Tc is 19.2 K. To be best of our knowledge, B2C is the first pristine 2D superconductor with a Tc higher than the boiling point of liquid helium.

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