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Title: Superconducting Phases in Lithium Decorated Graphene LiC6

A study of possible superconducting phases of graphene has been constructed in detail. A realistic tight binding model, fit to ab initio calculations, accounts for the Li-decoration of graphene with broken lattice symmetry, and includessanddsymmetry Bloch character that influences the gap symmetries that can arise. The resulting seven hybridized Li-C orbitals that support nine possible bond pairing amplitudes. The gap equation is solved for all possible gap symmetries. One band is weakly dispersive near the Fermi energy along Γ → Mwhere its Bloch wave function has linear combination of$${d}_{{x}^{2}-{y}^{2}}$$dx2y2anddxycharacter, and is responsible for$${d}_{{x}^{2}-{y}^{2}}$$dx2y2anddxypairing with lowest pairing energy in our model. These symmetries almost preserve properties from a two band model of pristine graphene. Another part of this band, alongK → Γ, is nearly degenerate with uppersband that favors extendedswave pairing which is not found in two band model. Upon electron doping to a critical chemical potentialμ1 = 0.22 eVthe pairing potential decreases, then increases until a second critical valueμ2 = 1.3 eV at which a phase transition to a distorteds-wave occurs. The distortion ofd- or s-wave phases are a consequence of decoration which is not appear in two band pristine model. In the pristine graphene these phases convert to usuald-wave or extendeds-wave pairing.

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Author(s) / Creator(s):
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Publisher / Repository:
Nature Publishing Group
Date Published:
Journal Name:
Scientific Reports
Medium: X
Sponsoring Org:
National Science Foundation
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