Unconventional superconductivity in 3d rocksalt transition metal carbides
Journal of Materials Chemistry C, 2019•pubs.rsc.org
Through calculation and analysis of electronic structure and lattice dynamics in 3d transition
metal carbides, we identify MnC as a novel compound displaying unconventional
superconductivity. Though unstable in the absence of applied pressure at 0 K, MnC may be
stabilized above 300 K or 13 GPa due to enhanced t2g orbital overlap or phonon–phonon
interactions respectively. In the resulting structure, which adopts a ferromagnetic
configuration with magnetization of 1.55 μB per Mn, we predict superconductivity occurring …
metal carbides, we identify MnC as a novel compound displaying unconventional
superconductivity. Though unstable in the absence of applied pressure at 0 K, MnC may be
stabilized above 300 K or 13 GPa due to enhanced t2g orbital overlap or phonon–phonon
interactions respectively. In the resulting structure, which adopts a ferromagnetic
configuration with magnetization of 1.55 μB per Mn, we predict superconductivity occurring …
Through calculation and analysis of electronic structure and lattice dynamics in 3d transition metal carbides, we identify MnC as a novel compound displaying unconventional superconductivity. Though unstable in the absence of applied pressure at 0 K, MnC may be stabilized above 300 K or 13 GPa due to enhanced t2g orbital overlap or phonon–phonon interactions respectively. In the resulting structure, which adopts a ferromagnetic configuration with magnetization of 1.55 μB per Mn, we predict superconductivity occurring below a critical temperature of 16.2 K. Further investigation reveals this unconventional superconductivity derives from phonon-mediated minority-spin-triplet Cooper pairs, for which competing magnetic order is also suggested to play a role. Consideration of all 3d transition metal carbides yields a holistic explanation of trends in stability and superconductivity. Two unique cases are predicted: (i) FeC, with a critical temperature of 4.0 K, may be stabilized by temperature or pressure, whereas (ii) ZnC, with a high critical temperature of 27.8 K, remains stable at 0 K owing to complete filling and strong localization of its 3d shell. The findings here contribute to the understanding of factors influencing superconductivity, hence forming a basis on which a materials-by-design approach may be utilized for next-generation applications such as spintronic devices.
The Royal Society of Chemistry