Computational Modeling of 2D Materials under High Pressure and Their Chemical Bonding: Silicene as Possible Field-Effect Transistor
Source abstract
Abstract
To study the possibility for silicene to be employed as a field-effect transistor (FET) pressure sensor, we explore the chemistry of monolayer and multilayered silicene focusing on the change in hybridization under pressure. Ab initio computations show that the effect of pressure depends greatly on the thickness of the silicene film, but also reveals the influence of real experimental conditions, where the pressure is not hydrostatic. For this purpose, we introduce anisotropic strain states. With pure uniaxial stress applied to silicene layers, a path for sp3 silicon to sp3d silicon is found, unlike with pure hydrostatic pressure. Even with mixed-mode stress (in-plane pressure half of the out-of-plane one), we find no such path. In addition to introducing our theoretical approach to study 2D materials, we show how the hybridization change of silicene under pressure makes it a good FET pressure sensor.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Graphene research and applications · Topological Materials and Phenomena · Mechanical and Optical Resonators
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Skolkovo Institute of Science and Technology, 3 Nobel Street, 121025 Moscow, Russian Federation
Institute of Solid State Chemistry and Mechanochemistry SB RAS, 630128 Novosibirsk, Russian Federation
CNR - Consiglio Nazionale delle Ricerche, SCITEC - Istituto di Scienze e Tecnologie Chimiche “Giulio Natta”, Sezione di via Golgi, 19, 20133 Milan, Italy
Department of Chemistry, Taif University, Al Hawiyah, Taif 26571, Saudi Arabia
Department of Materials Science and NanoEngineering and the Smalley Institute for Nanoscale Science and Technology, Rice University, Houston, Texas 77005, United States
Université Catholique de Louvain, Place de l’Université 1, 1348, Ottignies-Louvain-la-Neuve, Belgium
Funding
Russian Science Foundation
References (73)
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