Condensed phases of all-pentagon C20 cages as possible superconductors

Yoshiyuki Miyamoto; Mineo Saito

doi:10.1103/PhysRevB.63.161401

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Condensed phases of all-pentagon C20 cages as possible superconductors

Yoshiyuki Miyamoto, Mineo Saito

DOI 10.1103/PhysRevB.63.161401 · Physical Review B

T1

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Abstract

C20 cages consisting only of pentagons have been synthesized in a gas phase. [H. Prinzbach et al., Nature (London), 407, 60 (2000)]. By performing first-principles calculations, we have found that the C20 cages can form condensed phases in several dimensions. The most stable phase among the investigated ones is a simple-cubic-like (SCL) phase, which shows a metallic property. Meanwhile, a metastable one-dimensional phase (1D chain) is found to be a semiconductor. The computed band structure of a 1D chain shows high density of states near the Fermi level compared to the SCL phase, which is a promising sign of superconductivity under carrier doping.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
C20 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure not reported	unknown
C60 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure not reported	unknown
C36 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure not reported	unknown