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L. Gollner, R. Steiner, L. Filipovic:
"Study of Phonon-limited Electron Transport in Monolayer MoS2";
Vortrag: Fourth International Conference on Microelectronic Devices and Technologies (MicDAT '2022), Corfu, Greece; 21.09.2022 - 23.09.2022; in: "Microelectronic Devices and Technologies Proceedings of the 4rd International Conference on Microelectronic Devices and Technologies (MicDAT 2022)", (2022), ISBN: 978-84-09-43856-3; S. 74 - 78.

A multi-valley Ensemble Monte Carlo simulator has been developed and applied to investigate the dependence of the energy separation ΔEQK between the two conduction band minima (at the K- and Q-point of the Brillouin zone) on the phonon-limited electron transport in free-standing monolayer MoS2. It has been shown that the mobility highly depends on this material property and can vary between 100 cm2/(Vs) and 300 cm2/(Vs) when ΔEQK is varied within the values frequently encountered in literature. Even though the high-field drift velocity shows a lower dependence on the investigated property, a trend of decreasing high-field drift velocity with increasing ΔEQK has been observed. Additionally, to obtain a better understanding of the wide span of different values for ΔEQK, which can be found in the literature, multiple simulations of the band structure of monolayer MoS2 using density functional theory were performed. It was observed that by including spin-orbit coupling, by varying the exchange correlation functional, and by applying different pseudopotentials the variations in the resulting ΔEQK range from 104 meV to 266 meV.

Monte Carlo, MoS2, Mobility, Electron Transport, High- and Low-Field Transport, Density Functional Theory