Above 136 K superconductivity in hole-doped diamond and c-BN under ambient pressure

Chen Chen; Xin Zhong; Lei Shen; Cheng Lu

doi:10.1103/jrvy-fy1f

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Above 136 K superconductivity in hole-doped diamond and c-BN under ambient pressure

Chen Chen, Xin Zhong, Lei Shen, Cheng Lu

DOI 10.1103/jrvy-fy1f · Physical Review B

T1

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Abstract

Identifying superconducting materials with strong electron phonon coupling and high critical temperatures under ambient pressure constitutes a frontier in contemporary condensed matter physics. Here, we report a pioneering investigation of the influence of carrier concentration and phonon softening on superconductivity in the doped diamond and cubic boron nitride (c-BN) system. First-principles calculations indicate that the maximum achievable hole concentrations are 5.0×1022 and 5.3×1022holes/cm3 for the diamond and c-BN structures, which induce superconducting critical temperatures of 136 and 110 K, respectively. At the maximum theoretically achievable hole concentration, the valence band maximum crosses the Fermi level, forming triply degenerate hole pockets near the Γ point. Flat bands emerge near the Fermi level along the high-symmetry L-W path, and a Van Hove singularity appears at the L point, leading to a pronounced density of states peak at the Fermi level. These carrier features promote softening of the T2g phonon mode at the Γ point, resulting in enhanced phonon coupling strength λqv and phonon linewidth γqv, thereby strengthening the overall electron phonon interaction. These findings provide important theoretical insights into the correlation between carrier concentration and superconducting critical temperatures in conventional superconductors.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
BN Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	110	Pressure unresolved	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
LaH10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	250	170 GPa	unknown
H3S Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	203	200 GPa	unknown
LaH10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	280	200 GPa	unknown
YH10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	303	400 GPa	unknown
NaC6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	100	Pressure unresolved	unknown
SrB3C3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	40	Pressure not reported	unknown
Al(BN)6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	47	Pressure not reported	unknown
Al(BN)3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	72	Pressure not reported	unknown
Sr0.5Rb0.5B3C3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	75	Pressure not reported	unknown
C6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	36	Pressure not reported	unknown
C10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	156	Pressure not reported	unknown