Related papers: Direct and converse flexoelectricity in two-dimens…
One of the enticing features common to most of the two-dimensional electronic systems that are currently at the forefront of materials science research is the ability to easily introduce a combination of planar deformations and bending in…
Graphene, the first truly two-dimensional (one atom thin) material, possesses strongly nonlinear electrodynamic and optical properties. At low (microwave, terahertz) frequencies this results from the unique electronic property of graphene -…
Moir\'e superlattices of two-dimensional (2D) materials with a small twist angle are thought to exhibit appreciable flexoelectric effect, though unambiguous confirmation of their flexoelectricity is challenging due to artifacts associated…
Elastic constant C_{11} and piezoelectric stress constant e_{1,11} of two-dimensional (2D) dielectric materials comprising h-BN, 2H MoS2 and other transition metal dichalcogenides (TMDCs) and -dioxides (TMDOs) are calculated using lattice…
We study dynamical optical response of a nematic liquid crystal cell that undergoes the splay-bend transition after applying the voltage across the cell. We formulate a simplified model that takes into account both the flexoelectric…
In this report we present an investigation of the optical properties and band structure calculations for the photonic structures based on the functional materials- ferroelectrics. A theoretical approach to the optical properties of the 2D…
The flexoelectric effect refers to polarization induced in an insulator when a strain gradient is applied. We have developed a first-principles methodology based on density-functional perturbation theory to calculate the elements of the…
We investigate flexoelectricity in MXene monolayers from first principles. Specifically, we compute the transverse flexoelectric coefficients of 126 MXene monolayers along their two principal directions using Kohn-Sham density functional…
Two-dimensional (2D) materials and their heterostructures have been intensively studied in recent years due to their potential applications in electronic, optoelectronic, and spintronic devices. Nonetheless, the realization of 2D…
By using an asymptotic analysis and numerical simulations, we derive and investigate a system of homogenized Maxwell's equations for conducting material sheets that are periodically arranged and embedded in a heterogeneous and anisotropic…
We propose a one-dimensional, nonconvex elastic constitutive model with higher gradients that can predict spontaneous fracture at a critical load via a bifurcation analysis. It overcomes the problem of discontinuous deformations without…
Spectroscopies utilizing free electron beams as probes offer detailed information on the reciprocal-space excitations of 2D materials such as graphene and transition metal dichalcogenide monolayers. Yet, despite the attention paid to such…
Two-dimensional (2D) semiconducting transition metal dichalcogenides (TMDs) can withstand a large deformation without fracture or inelastic relaxation, making them attractive for application in novel strain-engineered and flexible…
A dielectric nonlinear response in model two-phase composites, prepared from a displacive ferroelectric material with a dominant dielectric response due to a single oscillator ferroelectric mode and a dielectric material, is characterized…
Two-dimensional (2D) photonic crystals offer strong control over the propagation of light through their bands. Theoretical methods for computing the band structure in 2D are well-established and fast because 2D photonic crystals are…
Density-functional perturbation theory (DFPT) is nowadays the method of choice for the accurate computation of linear and non-linear response properties of materials from first principles. A notable advantage of DFPT over alternative…
In a recent experiment, the out-of-plane surface susceptibility of a single-layer two-dimensional atom crystal in the visible spectrum has been measured. This susceptibility gives a measurable contribution to the reflectivity of…
We compute the electronic structure of two-dimensional (2D) materials decorated with self-assembled organic monolayers using density functional theory. We find that 2D materials are strongly impacted by near-field electrostatic effects…
The elastic response of the crystalline sheet to the stretching deformation in the form of wrinkles has been extensively investigated. In this work, we extend this fundamental scientific question to the plastic regime by exploring the…
According to the classical theory of elasticity, a plate subjected to a bending moment always deflects with symmetric tensile and compressive strains in its two sides, without overall deformation perpendicular to the bending moment. Here,…