Superconductivity at 28 K in CaB{sub 3}C{sub 3} predicted from first-principles
- College of Physics, Jilin Normal University, Siping 136000 (China)
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.
- OSTI ID:
- 22257808
- Journal Information:
- Journal of Applied Physics, Vol. 114, Issue 17; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
- Country of Publication:
- United States
- Language:
- English
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