Superconductivity in dense carbon-based materials

Siyu Lu; Hanyu Liu; Ivan I. Naumov; Sheng Meng; Yinwei Li; John S. Tse; Bai Yang; Russell J. Hemley

doi:10.1103/PhysRevB.93.104509

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Superconductivity in dense carbon-based materials

Siyu Lu, Hanyu Liu, Ivan I. Naumov, Sheng Meng, Yinwei Li, John S. Tse, Bai Yang, Russell J. Hemley

DOI 10.1103/PhysRevB.93.104509 · Physical Review B

T1

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Abstract

Guided by a simple strategy in search of new superconducting materials, we predict that high-temperature superconductivity can be realized in classes of high-density materials having strong sp3 chemical bonding and high lattice symmetry. We examine in detail sodalite carbon frameworks doped with simple metals such as Li, Na, and Al. Though such materials share some common features with doped diamond, their doping level is not limited, and the density of states at the Fermi level in them can be as high as that in the renowned MgB2. Together with other factors, this boosts the superconducting temperature (Tc) in the materials investigated to higher levels compared to doped diamond. For example, the Tc of sodalitelike NaC6 is predicted to be above 100 K. This phase and a series of other sodalite-based superconductors are predicted to be metastable phases but are dynamically stable. Owing to the rigid carbon framework of these and related dense carbon materials, these doped sodalite-based structures could be recoverable as potentially useful superconductors.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
NaC6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	100	Pressure not reported	unknown
MgB2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	39	Pressure not reported	unknown
YbC6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	6.5	Pressure not reported	unknown
CaC6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	11.5	Pressure not reported	unknown
Li Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	5.9	Pressure not reported	unknown
RbCs2C60 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	33	Pressure unresolved	unknown
Cs3C60 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	40	Pressure not reported	unknown
FC34 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	77	Pressure not reported	unknown
H2S Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	203	200 GPa	unknown
CaH6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	235	150 GPa	unknown