论文标题
二维过渡金属二分法中电子传输的理论研究:介电环境的影响
Theoretical Study of Electronic Transport in Two-Dimensional Transition Metal Dichalcogenides: Effects of the Dielectric Environment
论文作者
论文摘要
我们讨论了介电环境(绝缘体和金属门)对二维(2D)过渡金属二甲硅烷(TMD)单层中电子传输的影响。 We employ well-known ab initio methods to calculate the low-field carrier mobility in free-standing layers and use the dielectric continuum approximation to extend our study to layers in double-gate structures, including the effects of dielectric screening of the electron-phonon interaction caused by the bottom oxide and the gate insulator, and of scattering with hybrid interface optical-phonon/plasmon excitations (`remote phonon散射')。我们发现,具有高介电常数的绝缘体的存在可能会显着改善载体迁移率。然而,散射界面混合激发会否定了这一增益,并显着降低了迁移率低于其独立价值。在带有Sio $ _ {2} $的双门几何形状中,作为底部氧化物和各种顶栅绝缘子,我们发现,随着顶级绝缘体介电常数的增加,迁移率会降低,如所预期。但是,在弱极性HBN的情况下,预测迁移率很高,而在栅极绝缘体/TMD/底部氧化物堆栈中,计算出的迁移率要低得多,其中两种或多个极性材料具有相似的谐振频率的光学材料。我们还发现,通过金属大门进行筛选的效果是显而易见的,但不是特别强。最后,我们讨论了TMD介电常数,自由载体密度以及温度对TMD单层传输特性的影响。
We discuss the effect of the dielectric environment (insulators and metal gates) on electronic transport in two-dimensional (2D) transition metal dichalcogenides (TMD) monolayers. We employ well-known ab initio methods to calculate the low-field carrier mobility in free-standing layers and use the dielectric continuum approximation to extend our study to layers in double-gate structures, including the effects of dielectric screening of the electron-phonon interaction caused by the bottom oxide and the gate insulator, and of scattering with hybrid interface optical-phonon/plasmon excitations (`remote phonon scattering'). We find that the presence of insulators with a high dielectric constant may improve significantly the carrier mobility. However, scattering with the interface hybrid excitations negates this gain and degrades the mobility significantly below its free-standing value. In a double-gate geometry with SiO$_{2}$ as bottom-oxide and various top-gate insulators, we find that the mobility decreases as the top-insulator dielectric constant increases, as expected. However, a high mobility is predicted in the case of the weakly polar hBN, and a mobility much lower than expected is calculated in the case of gate-insulator/TMD/bottom-oxide stacks in which two or more polar materials have optical-phonon with similar resonating frequencies. We also find that the effect of screening by metal gates is noticeable but not particularly strong. Finally, we discuss the effect of the TMD dielectric constant, of the free-carrier density, and of temperature on the transport properties of TMD monolayers.