Interlayer Interactions in van der Waals Heterostructures: Electron and Phonon Properties

ACS Applied Materials & Interfaces
Nam B LeLilia M Woods

Abstract

Artificial van der Waals heterostructures constitute an emerging field that promises to design systems with properties on demand. Stacking patterns and the utilization of different types of chemically inert layers can deliver novel materials and devices. Despite the relatively weak van der Waals interaction, which does not affect the electronic properties around the Fermi level, our first-principles calculations show significant changes in the higher conduction and deeper valence regions in the considered graphene/silicene, graphene/MoS2, and silicene/MoS2 systems. Such changes are linked to strong out-of-plane hybridization effects and van der Waals interactions. We also find that the interface coupling significantly affects the vibrational properties of the heterostructures when compared to the individual constituents. Specifically, the van der Waals coupling is found to be a major factor for the stability of the system. The emergence of shear and breathing modes, as well as the transformation of flexural modes, are also found.

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Citations

Mar 21, 2017·Nanoscale·Wanshun XiaZhiming Wang
Feb 13, 2018·Nature Materials·Hidetaka KasaiBo B Iversen
Sep 19, 2019·Journal of Physics. Condensed Matter : an Institute of Physics Journal·F Sánchez-OchoaCecilia Noguez
Jan 22, 2020·Physical Chemistry Chemical Physics : PCCP·Yuan SiGui-Fang Huang
Mar 16, 2017·Nature Communications·Pablo Rodriguez-LopezLilia M Woods
Dec 5, 2019·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Xue-Kun Chen, Ke-Qiu Chen
Jul 9, 2016·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Nam B Le, Lilia M Woods
May 27, 2016·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Agata Podsiadły-Paszkowska, Mariusz Krawiec
Feb 13, 2018·Langmuir : the ACS Journal of Surfaces and Colloids·Srilok Srinivasan, Ganesh Balasubramanian

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