Electric Field Effects on Graphene Materials

TL;DR

This paper reviews theoretical studies on how electric fields influence the dielectric properties of graphene and MoS₂, revealing tunable dielectric constants and potential layer separation at high fields, relevant for electronic device design.

Contribution

It presents novel density functional calculations showing electric field tunability of dielectric constants in layered 2D materials, highlighting differences based on layer thickness and stability thresholds.

Findings

Dielectric constant $\\varepsilon$ increases with electric field and layer thickness.

At low fields, $\\varepsilon$ is approximately 4 for both materials.

High fields can induce layer separation due to charge polarization.

Abstract

Understanding the effect of electric fields on the physical and chemical properties of two-dimensional (2D) nanostructures is instrumental in the design of novel electronic and optoelectronic devices. Several of those properties are characterized in terms of the dielectric constant which play an important role on capacitance, conductivity, screening, dielectric losses and refractive index. Here we review our recent theoretical studies using density functional calculations including van der Waals interactions on two types of layered materials of similar two-dimensional molecular geometry but remarkably different electronic structures, that is, graphene and molybdenum disulphide (MoS$_2$). We focus on such two-dimensional crystals because of they complementary physical and chemical properties, and the appealing interest to incorporate them in the next generation of electronic and optoelectronic devices. We predict that the effective dielectric constant ($\varepsilon$) of few-layer graphene and MoS$_2$ is tunable by external electric fields ($E_{\rm ext}$). We show that at low fields ($E_{\rm ext}^{}<0.01$ V/\AA) $\varepsilon$ assumes a nearly constant value $\sim$4 for both materials, but increases at higher fields to values that depend on the layer thickness. The thicker the structure the stronger is the modulation of $\varepsilon$ with the electric field. Increasing of the external field perpendicular to the layer surface above a critical value can drive the systems to an unstable state where the layers are weakly coupled and can be easily separated. The observed dependence of $\varepsilon$ on the external field is due to charge polarization driven by the bias, which show several similar characteristics despite of the layer considered.