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首页> 外文期刊>Physical review >Ab initio simulation of single- and few-layer MoS_2 transistors: Effect of electron-phonon scattering
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Ab initio simulation of single- and few-layer MoS_2 transistors: Effect of electron-phonon scattering

机译：单层和多层MoS_2晶体管的从头算起：电子声子散射的影响

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摘要

In this paper, we present full-band atomistic quantum transport simulations of single- and few-layer MoS_2 field-effect transistors (FETs) including electron-phonon scattering. The Hamiltonian and the electron-phonon coupling constants are determined from ab initio density-functional-theory calculations. It is observed that the phonon-limited electron mobility is enhanced with increasing layer thicknesses and decreases at high charge concentrations. The electrostatic control is found to be crucial even for a single-layer MoS_2 device. With a single-gate configuration, the double-layer MoS_2 FET shows the best intrinsic performance with an ON current, I_(ON) = 685 μA/μm, but with a double-gate contact the transistor with a triple-layer channel delivers the highest current with I_(ON) = 1850 μA/μm. The charge in the channel is almost independent of the number of MoS_2 layers, but the injection velocity increases significantly with the channel thickness in the double-gate devices due to the reduced electron-phonon scattering rates in multilayer structures. We demonstrate further that the ballistic limit of transport is not suitable for the simulation of M X_2 FETs because of the artificial negative differential resistance it predicts.
机译：在本文中，我们介绍了包括电子-声子散射在内的单层和多层MoS_2场效应晶体管（FET）的全频带原子量子传输模拟。哈密​​顿量和电子-声子耦合常数是从头算密度函数理论计算得出的。观察到，受声子限制的电子迁移率随层厚度的增加而增强，并在高电荷浓度下降低。发现即使对于单层MoS_2器件，静电控制也至关重要。采用单栅极配置时，双层MoS_2 FET在导通电流I_（ON）= 685μA/μm时显示出最佳的固有性能，但在双栅极接触的情况下，具有三层沟道的晶体管可提供I_（ON）= 1850μA/μm时的最大电流。沟道中的电荷几乎与MoS_2层的数量无关，但是由于多层结构中电子声子散射速率的降低，注入速度随着双栅器件中沟道厚度的增加而显着增加。我们进一步证明，弹道极限运输不适合用于M X_2 FET的仿真，因为它预测的是人为的负差分电阻。

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