Superconductivity in Scandium Borocarbide with orbital hybridization

TL;DR

This paper reports the discovery of superconductivity at 7.8 K in scandium borocarbide, highlighting the role of orbital hybridization between Sc 3d and C-B-C electrons in enabling superconductivity.

Contribution

The study demonstrates superconductivity in a new scandium borocarbide compound and links it to enhanced orbital hybridization affecting the electronic structure.

Findings

Superconductivity observed at 7.8 K in ${\mathrm{Sc}}_{20}{\mathrm{B}}{\mathrm{C}}_{27}$

Bulk superconductivity confirmed by magnetization and heat capacity

Orbital hybridization influences the electronic structure and superconductivity

Abstract

Exploration of superconductivity in light element compounds has drawn considerable attention because those materials can easily realize the high $T_{c}$ superconductivity, such as ${\mathrm{LnNi}}_{2}{\mathrm{B}_{2}}{\mathrm{C}}$ ($T_{c}$ =17 K), ${\mathrm{Mg}}{\mathrm{B}}_{2}$ ($T_{c}$ =39 K), and very recently super-hydrides under pressure ($T_{c}$ =250 K). Here we report the discovery of bulk superconductivity at 7.8 K in scandium borocarbide ${\mathrm{Sc}}_{20}{\mathrm{B}}{\mathrm{C}}_{27}$ with a tetragonal lattice which structure changes based on the compound of ${\mathrm{Sc}}_{3}{\mathrm{C}}_{4}$ with very little B doping. Magnetization and specific heat measurements show bulk superconductivity. An upper critical field of Hc2(0) ~ 8 T is determined. Low temperature specific-heat shows that this system is a BCS fully gapped s-wave superconductor. Electronic structure calculations demonstrate that compared with ${\mathrm{Sc}}_{3}{\mathrm{C}}_{4}$ there are more orbital overlap and hybridization between Sc 3d electrons and 2p electrons of C-C(B)-C fragment in ${\mathrm{Sc}}_{20}{\mathrm{B}}{\mathrm{C}}_{27}$, which form a new electric conduction path of Sc-C(B)-Sc. Those changes influence the band structure at the Fermi level and may be the reason of superconductivity in ${\mathrm{Sc}}_{20}{\mathrm{B}}{\mathrm{C}}_{27}$.