Phononic and electronic properties of the superconducting topological metal ThMo2Si2C
Xian-Biao Shi, Jing-Yu Li, Jian-Guo Si, Lan-Ting Shi, Peng-Fei Liu, Bao-Tian Wang
DOI 10.1103/PhysRevB.110.075129 · Physical Review B
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Abstract
The phononic and electronic properties of newly discovered quaternary superconductor ThMo2Si2C are reported based on the results of first-principles calculations. The phonon spectrum contains soft phonon modes around the zone corners that lead to a 2×2×1 charge-density-wave (CDW) instability, which is related to the momentum-dependent electron-phonon coupling. Intriguingly, these soft phonon modes can be removed by considering anharmonic effects. The electronic band structure without spin-orbit coupling (SOC) hosts multiple band crossing points near the Fermi level (Ef), giving rise to multiple bulk nodal lines in this system. When SOC is considered, the nodal lines are gapped out and a pair of anisotropic Dirac points protected by C4 rotational symmetry emerge along the Γ−Z direction near the Ef. These results suggest that superconductor ThMo2Si2C is a topological Dirac metal on the verge of a CDW instability, making it a realistic material platform to investigate the interplay among superconductivity, CDW quantum criticality, and bulk Dirac fermions.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| ThMo2Si2C Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 2.2 | Pressure not reported | unknown |
| BaTi2Sb2O Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 1.2 | Pressure not reported | unknown |
| BaTi2Bi2O Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 4.6 | Pressure not reported | unknown |
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