High-Tc Superconductivity in Superhard Diamondlike BC5

Matteo Calandra; Francesco Mauri

doi:10.1103/PhysRevLett.101.016401

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High-Tc Superconductivity in Superhard Diamondlike BC5

Matteo Calandra, Francesco Mauri

DOI 10.1103/PhysRevLett.101.016401 · Physical Review Letters

T1

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Abstract

Using density functional theory calculations we show that the recently synthesized superhard diamondlike BC5 is superconducting with a critical temperature of the same order as that of MgB2. The average electron-phonon coupling is λ=0.89, the phonon-frequency logarithmic average is ⟨ω⟩log=67.4 meV, and the isotope coefficients are α(C)=0.3 and α(B)=0.2. In BC5, superconductivity is mostly sustained by concerted vibrations of the B atom and its C neighbors.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
BC5 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	45	Pressure not reported	unknown
CaC6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	11.4	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 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