Abstract

Recently, microelectromechanical system has been used to dynamically strain atomically thin materials including MoS₂. While strain can significantly modulate the electronic and phonon structures of monolayer MoS₂, its impact on electron transport, especially in the dissipative regime, has not been well explored. In this paper, using a three-dimensional particle-based quantum-corrected Monte Carlo device simulator, the effects of uniaxial and biaxial strain on room-temperature electron transport in a model monolayer molybdenum disulphide (MoS₂) based field-effect transistor have been investigated. In the beginning, the simulator has been validated against recently published experimental results. Overall, strain in monolayer MoS₂ strongly affects the polar optical phonon modes as well as the electronic bandstructure. Uniaxial strain breaks the degeneracy of E′ Raman mode and results in phonon softening. In this case, our results show that, for both E⁺ and E⁻ Raman modes, ON current first increases for up to 3.7% of applied strain and then decreases as the strain is increased further. As for biaxial strain, we consider the effects of both tensile and compressive stresses. We find that the application of biaxial tensile strain boosts the ON current for up to 4% of strain. Especially, biaxial tensile strain leads to ~ 15.56% increase in the ON current, which is highest for any type of applied stress.

Graphic Abstract

中文翻译：

---

纳米单层MoS 2 FET中应变相关的极性光学声子散射和驱动电流优化

摘要

最近，微机电系统已用于动态应变包括MoS _2的原子薄材料。尽管应变可以显着地调节单层MoS ₂的电子和声子结构，但其对电子传输的影响，尤其是在耗散状态下，尚未得到很好的研究。在本文中，使用基于三维粒子的量子校正蒙特卡罗器件仿真器，在基于模型单层二硫化钼（MoS ₂）的场效应晶体管中，单轴和双轴应变对室温电子传输的影响已经得到调查。首先，已经针对最近发布的实验结果对模拟器进行了验证。总体而言，单层MoS中的应变₂极大地影响了极性光学声子模式以及电子能带结构。单轴应变破坏了E '拉曼模的简并性，并导致声子软化。在这种情况下，我们的结果表明，对于这两个È ⁺和ë ^-拉曼模式，ON长达外加应变为3.7％的电流先增大后减小随着应变进一步增加。至于双轴应变，我们考虑了拉应力和压应力的影响。我们发现，施加双轴拉伸应变可将导通电流提高至高达4％的应变。特别是，双轴拉伸应变导致导通电流增加〜15.56％，这对于任何类型的施加应力来说都是最高的。

图形摘要