Abstract Electron-phonon interaction (EPI) has been widely suited in electrical transport properties, such as electrical resistivity in metals and electronic mobility in semiconductors. Nevertheless, its critical impact on lattice thermal transport has just been revealed in recent years, particularly for two-dimensional materials. Here, we emphatically report the carrier concentration dependent EPI effect on the lattice thermal conductivities for single-layer transitional metal dichalcogenide MoS2 and PtSSe by first-principles calculations. In particular, when the EPI effect is considered, the lattice thermal conductivities at 300 K are significantly reduced by as much as 39% (42%) and 78% (55%) at 6.5 × 1013 cm−2 for hole (electron) doping of MoS2 and PtSSe, respectively. This abnormal suppression effect on thermal conductivity due to strong EPI for hole doping of PtSSe can be profoundly understood by its strong electron-phonon coupling strength and characteristic band structure. The former can be further rationalized by the breaking of the horizontal symmetry in PtSSe. Our work presents a deep insight into EPI effect on lattice thermal conductivity and provides a new perspective to search for strong EPI induced low thermal conductivity materials.

中文翻译：

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强电子-声子相互作用导致单层 MoS2 和 PtSSe 的晶格热导率显着降低

摘要 电子-声子相互作用 (EPI) 已广泛适用于电传输特性，例如金属的电阻率和半导体的电子迁移率。然而，它对晶格热传输的关键影响在最近几年才被揭示出来，特别是对于二维材料。在这里，我们通过第一性原理计算着重报告了载流子浓度依赖性 EPI 对单层过渡金属二硫属化物 MoS2 和 PtSSe 晶格热导率的影响。特别是，当考虑 EPI 效应时，空穴（电子）掺杂在 6.5 × 1013 cm-2 时，300 K 时的晶格热导率显着降低了 39%（42%）和 78%（55%）分别为 MoS2 和 PtSSe。PtSSe 空穴掺杂的强 EPI 对热导率的异常抑制作用可以通过其强的电子 - 声子耦合强度和特征能带结构来深刻理解。前者可以通过破坏 PtSSe 中的水平对称性来进一步合理化。我们的工作深入了解了 EPI 对晶格热导率的影响，并为寻找强 EPI 诱导的低热导率材料提供了新的视角。