4.6 Article

Influence of the hBN Dielectric Layers on the Quantum Transport Properties of MoS2 Transistors

Journal

MATERIALS
Volume 15, Issue 3, Pages -

Publisher

MDPI
DOI: 10.3390/ma15031062

Keywords

quantum transport; ab initio; thermal properties; high-k dielectrics; TMD materials

Funding

  1. NCCR MARVEL - Swiss National Science Foundation (SNSF) [182892]
  2. SNSF [175479]
  3. Swiss National Supercomputing Center (CSCS) [s876, s1119]

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The study investigates the electron-phonon interactions in MoS2-hBN devices, comparing two transistor configurations with different treatments of hBN. The inclusion of hBN leads to additional interactions at specific frequencies, impacting the current magnitude and temperature distribution within the transistor.
The encapsulation of single-layer 2D materials within hBN has been shown to improve the mobility of these compounds. Nevertheless, the interplay between the semiconductor channel and the surrounding dielectrics is not yet fully understood, especially their electron-phonon interactions. Therefore, here, we present an ab initio study of the coupled electrons and phonon transport properties of MoS2-hBN devices. The characteristics of two transistor configurations are compared to each other: one where hBN is treated as a perfectly insulating, non-vibrating layer and one where it is included in the ab initio domain as MoS2. In both cases, a reduction of the ON-state current by about 50% is observed as compared to the quasi-ballistic limit. Despite the similarity in the current magnitude, explicitly accounting for hBN leads to additional electron-phonon interactions at frequencies corresponding to the breathing mode of the MoS2-hBN system. Moreover, the presence of an hBN layer around the 2D semiconductor affects the Joule-induced temperature distribution within the transistor.

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