Ab initio investigation of charge density wave and superconductivity in two-dimensional Janus 2H/1T-MoSH monolayers
Ruiqi Ku, Luo Yan, Jian-Guo Si, Songyuan Zhu, Bao-Tian Wang, Yadong Wei, Kaijuan Pang, Weiqi Li, Liujiang Zhou
DOI 10.1103/PhysRevB.107.064508 · Physical Review B
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Abstract
Janus structures with the breaking of out-of-plane mirror symmetry have gained intensive attention. Here, on the basis of first principles, we not only investigate the recently discovered Janus 2H-MoSH monolayer [ACS Nano 15, 20319 (2021)], but also report the global minimum structure of a Janus 1T-MoSH monolayer. Meanwhile, 2H-MoSH monolayer can easily transform into the 1T phase, overcoming a relatively small barrier of 0.13 eV. Intriguingly, Janus 1T-MoSH is a charge-density wave (CDW) material and its CDW order can be regulated via external strains. When Janus 1T-MoSH is subjected to 3% compressive strain, its CDW is completely suppressed and a superconducting state with a superconducting transition temperature Tc of 25.15 K emerges. Moreover, Janus 2H-MoSH monolayer is an intrinsic superconductor with a Tc of ∼26.81 K and its Tc can be enhanced up to 36.69 K under a 1% tensile strain. Our work provides more in-depth insights for superconducting and CDW in low-dimensional transition metal dichalcogenides and related Janus systems.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| MoSH Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 25.15 | Pressure not reported | unknown |
| MoSH Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 26.81 | Pressure not reported | unknown |
| MoSH Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 36.69 | Pressure not reported | unknown |
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