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Title: Superconductivity at 28 K in CaB{sub 3}C{sub 3} predicted from first-principles

The structural parameters, electronic properties, and superconducting state in the graphite-like B{sub x}C{sub 1−x} intercalation compound, CaB{sub 3}C{sub 3}, have been studied using pseudopotential density functional theory within the generalized gradient approximation. Electronic and electron–phonon coupling calculations reveal that CaB{sub 3}C{sub 3} is hole conducting and superconducting with critical temperature 28.2 K, which is much higher than that of CaC{sub 6} (11.5 K). The excellent superconducting state in CaB{sub 3}C{sub 3} stems from the simultaneous presence of highly mobile and extremely confined conduction electrons, which enhances electron pairing and superconductivity. The current calculations might stimulate further theoretical and experimental investigation in search of new superconducting states in graphite-like B{sub x}C{sub 1−x} intercalated compounds.
Authors:
 [1]
  1. College of Physics, Jilin Normal University, Siping 136000 (China)
Publication Date:
OSTI Identifier:
22257808
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 114; Journal Issue: 17; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CLATHRATES; COUPLING; CRITICAL TEMPERATURE; DENSITY FUNCTIONAL METHOD; GRAPHITE; HOLES; SUPERCONDUCTIVITY