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arXiv 2103.10709cond-mat.supr-con
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1 T MoS2中电子-声子介导的超导电性及压力对其的影响

Electron-Phonon Mediated Superconductivity in 1T MoS2 and Effect of Pressure on the Same

Jagdish Kumar, Harkirat Singh

摘要:

采用密度泛函理论(DFT)从头计算方法研究了1 T MoS 2的电子、声子和超导性质.声子色散计算密度泛函微扰理论(DFPT)。我们还计算了Eliashberg函数α ~ 2F ω和电子-声子耦合常数λ。用McMillan-Allen-Dynes公式计算的超导转变温度(Tc)与最近的实验报道符合得很好。我们还评估了压力对该系统超导行为的影响。结果表明,1 T MoS 2具有电子-声子介导的超导电性,超导转变温度随压力的增加略有升高,然后随压力的进一步增加而降低.

英文摘要:

Density functional theory (DFT) based ab-initio calculations of electronic, phononic, and superconducting properties of 1T MoS2 are reported. The phonon dispersions are computed within density-functional-perturbation-theory (DFPT). We have also computed Eliashberg function alpha2Fomega and electron-phonon coupling constant lambda from the same. The superconducting transition temperature (Tc) computed within the McMillan-Allen-Dynes formula is found in good agreement with the recent experimental report. We have also evaluated the effect of pressure on the superconducting behavior of this system. Our results show that 1T MoS2 exhibits electron-phonon mediated superconductivity and the superconducting transition temperature rises slightly with pressure and then decreases with further increase in pressure.

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