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Simulating the effect of boron doping in superconducting carbon

Yuki Sakai, James R. Chelikowsky, Marvin L. Cohen

DOI 10.1103/PhysRevB.97.054501 · Physical Review B

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Abstract

We examine the effect of boron doping in superconducting forms of amorphous carbon. By judiciously optimizing boron substitutional sites in simulated amorphous carbon, we predict a superconducting transition temperature near 37 K at 14% boron concentration. Our findings have direct implications for understanding the recently discovered high-Tc superconductivity in Q-carbon.

Source-reported materials — not catalogue approval

FormulaReported Tc (K)Pressure (GPa)Type
CaC6

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Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.

11.5Pressure unresolvedunknown
CsxRbyC60

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Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.

33Pressure not reportedunknown
MgB2

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Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.

39Pressure not reportedunknown

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