Robust superconductivity and huge enhancement of upper critical field in Nb2CS2 MXene under high pressure

Abstract

As a member of the emerging MXenes family, Nb2CS2 offers distinctive superconductivity, excellent electrical properties, and outstanding chemical stability, making it potentially useful for energy storage, medical imaging, and quantum computing. Herein, we systematically investigate how ultrahigh pressure affects the electrical properties of Nb2CS2. The results indicate that Nb2CS2 retains robust superconductivity with Tc>8 K up to the maximum applied pressure of 146.8 GPa. Moreover, the upper critical magnetic field Hc2(0) of Nb2CS2 increases with pressure, and the Pauli limit is violated at pressures greater than 120 GPa. Meanwhile, Hc2(0) increases to 19.3 T at 146.8 GPa, which is 4.8 times greater than at the initial pressure. Further analysis suggests that the significant enhancement of Hc2(0) below 30 GPa comes from the sharp pressure-induced rise of carrier concentration as the interlayer distance decreases, and the significant increase in Hc2(0) above 86 GPa may come from enhanced spin–orbit coupling or the possible unconventional superconducting pairing mechanisms. These results provide insights into the superconducting properties of MXene materials and offer guidelines for further research on electronic transport in Mxenes under ultrahigh pressure.