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
(MoS2​). 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 (ε) of
few-layer graphene and MoS2​ is tunable by external electric fields (Eext​). We show that at low fields (Eext​<0.01 V/\AA) ε
assumes a nearly constant value ∼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 ε 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 ε on the external field is due to charge polarization driven by
the bias, which show several similar characteristics despite of the layer
considered.Comment: Invited book chapter on Exotic Properties of Carbon Nanomatter:
Advances in Physics and Chemistry, Springer Series on Carbon Materials.
Editors: Mihai V. Putz and Ottorino Ori (11 pages, 4 figures, 30 references