Related papers: Transversal flexoelectric coefficient for nanostru…
The deformation and disintegration of a graphene nanoribbon under external electrostatic fields are investigated by first principle quantum mechanical calculations to establish its stability range. The zigzag edges terminated by various…
In this paper, optical properties of Chiral Graphene Nanoribbons both in longitude and transverse polarization have been studied using density functional theory calculation. It has been shown that the selection rule which have been reported…
Electron group velocity for graphene under uniform strain is obtained analitically by using the Tight-Binding approx- imation. Such closed analytical expressions are useful in order to calculate electronic, thermal and optical properties of…
The near-field Coulomb interaction between a nano-emitter and a graphene monolayer results in strong F\"orster-type resonant energy transfer and subsequent fluorescence quenching. Here, we investigate the distance dependence of the energy…
The electronic functionality of thin films is governed by their interfaces. This is very important for the ferroelectric (FE) state which depends on thin-film clamping and interfacial charge transfer. Here we show that in a heterostructure…
We present some computational simulations of graphene-based nanoribbons with a number of half-twists varying from 0 to 4 and two types of defects obtained by removing a single carbon atom from two different sites. Optimized geometries are…
We present a magnetically biased graphene-ferrite structure discriminating the TE and TM plasmonic modes of graphene. In this structure, the graphene TM plasmons interact reciprocally with the structure. In contrast, the graphene TE…
The intrinsic flexible character of polymeric materials also causes remarkable strain deformations along directions perpendicular to the applied stress. Here the biaxial response in the shear piezoelectricity of polyvinylidenefluoride…
In this work we continue the investigation of different approaches to conception and modeling of composite materials. The global method we focus on, is called 'stochastic homogenization'. In this approach, the classical deterministic…
We investigate the optical properties of layered structures with graphene at the interface for arbitrary linear polarization at finite temperature including full retardation by working in the Weyl gauge. As a special case, we obtain the…
Using the modified Landau-Ginsburg-Devonshire thermodynamic theory, it is found that the coupling between stress gradient and polarization, or flexoelectricity, has significant effect on ferroelectric properties of epitaxial thin films,…
A thorough understanding of the electronic structure is a necessary first step for the design of nanoelectronics, chemical/bio-sensors, electrocatalysts, and nanoplasmonics using graphene. As such, theoretical spectroscopic techniques to…
Using continuous approximation we study the static and high-frequency heat dissipation in multi-layer graphene on a ferroelectric. We demonstrate that the Joule heating effect, caused by a high-frequency ac electric current in graphene,…
We explore the impact of the flexoelectric effect and Vegard effect (chemical pressure) on the phase diagrams, long-range polar order and related physical properties of the spherical ferroelectric nanoparticles using…
In the effective mass approximation, electronic property in graphene can be characterized by the relativistic Dirac equation. Within such a continuum model we investigate the electronic transport through graphene waveguides formed by…
We use a tight binding approach and density functional theory calculations to study the band structure of graphene/hexagonal boron nitride bilayer system in the most stable configuration. We show that an electric field applied in the…
Diffusion and drift of a graphene flake on a graphite surface are analyzed. A potential energy relief of the graphene flake is computed using ab initio and empirical calculations. Based on the analysis of this relief, different mechanisms…
A novel nanoelectronic device is constructed by graphyne that is robustly connected between graphene electrodes, where graphyne is composed of hexagonal carbon rings and carbon chains. Owing to similarities between the bond lengths and unit…
We have performed a first-principles study on the deformation effect of the electronic structures of graphite nanoribbon arrays with zigzag edges on both sides, and the edge atoms are terminated with hydrogen atoms. A uniaxial strain is…
We consider theoretically the influence of the flexoelectric coupling on the spatial distribution and temperature behavior of spontaneous polarization for several types of stable domain structure in thin ferroelectric films, such as stripe…