Physical insights on transistors based on lateral heterostructures of monolayer and multilayer PtSe2 via Ab initio modelling of interfaces
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Nature
Fecha
2021-09-16Referencia bibliográfica
Calogero, G... [et al.]. Physical insights on transistors based on lateral heterostructures of monolayer and multilayer PtSe2 via Ab initio modelling of interfaces. Sci Rep 11, 18482 (2021). [https://doi.org/10.1038/s41598-021-98080-y]
Patrocinador
European Commission European Commission Joint Research Centre 829035Resumen
Lateral heterostructures (LH) of monolayer-multilayer regions of the same noble transition metal
dichalcogenide, such as platinum diselenide (
PtSe2), are promising options for the fabrication of
efficient two-dimensional field-effect transistors (FETs), by exploiting the dependence of the energy
gap on the number of layers and the intrinsically high quality of the heterojunctions. Key for future
progress in this direction is understanding the effects of the physics of the lateral interfaces on farfrom-
equilibrium transport properties. In this work, a multi-scale approach to device simulation,
capable to include ab-initio modelling of the interfaces in a computationally efficient way, is
presented. As an application, p- and n-type monolayer-multilayer PtSe2
LH-FETs are investigated,
considering design parameters such as channel length, number of layers and junction quality. The
simulations suggest that such transistors can provide high performance in terms of subthreshold
characteristics and switching behavior, and that a single channel device is not capable, even in the
ballistic defectless limit, to satisfy the requirements of the semiconductor roadmap for the next
decade, and that stacked channel devices would be required. It is shown how ab-initio modelling of
interfaces provides a reliable physical description of charge displacements in their proximity, which
can be crucial to correctly predict device transport properties, especially in presence of strong dipoles,
mixed stoichiometries or imperfections.