Related papers: Transversal flexoelectric coefficient for nanostru…
We carry out an explicit calculation of the vacuum polarization tensor for an effective low-energy model of monolayer graphene in the presence of a weak magnetic field of intensity $B$ perpendicularly aligned to the membrane. By expanding…
In this paper, we establish the existence of both compressive stress and charge transfer process in hydrothermally synthesized cobalt ferrite-graphene oxide (CoFe2O4/GO) nanocomposites. Transmission electron microscopy (TEM) results reveal…
Ab initio calculation of dielectric response with high-accuracy electronic structure methods is a long-standing problem, for which mean-field approaches are widely used and electron correlations are mostly treated via approximated…
Thermoelectric effects have attracted wide attention in recent years from physicists and engineers. In this work, we explore the selfsimilar patterns in the thermoelectric effects of monolayer graphene based structures, by using the quantum…
The hyperfine interaction between the quadrupole moment of atomic nuclei and the electric field gradient (EFG) provides information on the electronic charge distribution close to a given atomic site. In ferroelectric materials, the loss of…
Flexoelectricity is a form of electromechanical coupling that has recently emerged because, unlike piezoelectricity, it is theoretically possible in any dielectric material. Two-dimensional (2D) materials have also garnered significant…
We propose a new method to calculate polarization induced interfacial charges in semiconductor heterostructures using classical electrostatics applied to real-space band diagrams from first principles calculations and apply it to GaN/AlN…
We have modeled transport properties of nanostructures using the Green's function method within the framework of the density-functional theory. The scheme is computationally demanding so that numerical methods have to be chosen carefully. A…
In this paper, we study a theoretical method to calculate the conductance across a square barrier potential in monolayer graphene. We have obtained an analytical expression for the transmission coefficient across a potential barrier for…
We introduce a formalism that describes the interaction of light with bifacial optical nanomaterials. They are artificial noncentrosymmetric materials in which counter-propagating waves behave differently. We derive electromagnetic material…
The resistance to failure through tearing is a crucial mechanical property for the application of different elastomers. In this work, graphene nanoplatelets (GNPs) were introduced into a fluoroelastomer (FKM) matrix with the aim of…
We derive the polarization tensor of graphene at nonzero temperature in (2+1)-dimensional space-time. The obtained tensor coincides with the previously known one at all Matsubara frequencies, but, in contrast to it, admits analytic…
We study spin dependent transport through a magnetic bilayer graphene nanojunction configured as two dimensional normal/ferromagnetic/normal structure where the gate-voltage is applied on the layers of ferromagnetic graphene. Based on the…
Magnetic carbon nanostructures are currently under scrutiny for a wide spectrum of applications. Here, we theoretically investigate armchair graphene nanoribbons patterned with asymmetric edge extensions consisting of laterally fused…
To study the optical rotation of the polarization of light incident on multilayer systems consisting of atomically thin conductors and dielectric multilayers we present a general method based on transfer matrices. The transfer matrix of the…
We report on nanoscale strain gradients in ferroelectric HoMnO3 epitaxial thin films, resulting in a giant flexoelectric effect. Using grazing-incidence in-plane X-ray diffraction, we measured strain gradients in the films, which were 6 or…
Building on recent developments in electronic-structure methods, we define and calculate the flexoelectric response of two-dimensional (2D) materials fully from first principles. In particular, we show that the open-circuit voltage response…
We have recently shown that by using a scaling approach for randomly distributed topological defects in graphene, reliable estimates for transmission properties of macroscopic samples can be calculated based even on single-defect…
The statistical theory of the dipole flexoelectric (FE) polarization in liquid crystals is used to calculate the temperature dependence of order parameters, the elastic constants and the FE coefficients. Two systems with polar wedge-shaped…
We investigated theoretically the effect of covalent edge functionalization, with organic functional groups, on the electronic properties of graphene nanostructures and nano-junctions. Our analysis shows that functionalization can be…