Strain-Induced Modulation of Electron Mobility in Single-Layer Transition Metal Dichalcogenides MX2 (M = Mo, W; X = S, Se)
Strain-Induced Modulation of Electron Mobility in Single-Layer Transition Metal Dichalcogenides MX2 (M = Mo, W; X = S, Se)
复制标题
DOI：
10.1109/ted.2015.2461617
复制
发表时间：
2015-10-01
影响因子：
3.1
通讯作者：
Esseni, David
中科院分区：
文献类型：
--
作者：
Hosseini, Manouchehr;Elahi, Mohammad;Esseni, David
本文研究了双轴应变对单层过渡金属二卤化物(MoS_2、MoSe_2、WS_2和WSe_2)的本征声子模、远声子和带电杂质散射的影响。用从头算方法研究了应变对电子能带结构的影响，用线性化的Boltzmann输运方程计算了低场迁移率。结果表明，拉伸应变增加了材料的迁移率。特别是，单层MoSe_2和WSe_2在相对较小的拉伸应变下的迁移率显著增加。然而，在压缩应变下，迁移率表现出非单调行为。在相对较小的压缩应变下，迁移率下降，然后随着压缩应变的进一步增加，迁移率部分恢复。
In this paper, the effect of biaxial strain on the mobility of single-layer transition metal dichalcogenides (MoS2, MoSe2, WS2, and WSe2) is investigated by accounting for the scattering from intrinsic phonon modes, remote phonons, and charged impurities. Ab initio simulations are employed to study a strain-induced effect on the electronic bandstructure, and the linearized Boltzmann transport equation is used to evaluate the low-field mobility. The results indicate that tensile strain increases the mobility. In particular, a significant increase in the mobility of single-layer MoSe2 and WSe2 with a relatively small tensile strain is observed. Under a compressive strain, however, the mobility exhibits a nonmonotonic behavior. With a relatively small compressive strain, the mobility decreases and then it partially recovers with a further increase in the compressive strain.