Related papers: Current-density implementation for calculating fle…
In a recent letter [Phys. Rev. Lett. 127, 216801 (2021)], the authors introduced the effective flexoelectric coefficient $\mu^\textrm{2D}$ for quantifying the flexoelectric effect in 2D systems, and reported a disagreement with the…
Non-conductive materials like rubbers, plastics, ceramics, and even semiconductors have the property of flexoelectricity, which means that they can generate electricity when bent and twisted. However, an irregular shape or a peculiar load…
The polaron binding energy and effective mass in a degenerate polar gas is calculated in the fractional-dimensional approach under plasmon pole approximation.The effect of carrier densities on the static and dynamic screening correction 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 suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals. The advantages of the approach are conceptual and…
We extend the density functional perturbation theory formalism to the case of non-collinear magnetism. The main problem comes with the exchange-correlation (XC) potential derivatives, which are the only ones that are affected by the…
We study the large deviations of the time-integrated current for a driven diffusion on the circle, often used as a model of nonequilibrium systems. We obtain the large deviation functions describing the current fluctuations using a…
In this work, we present a compactly supported radial basis function (CSRBF) based meshfree method to analyse geometrically nonlinear flexoelectric nanostructures considering surface effects. Flexoelectricity is the polarization of…
We theoretically investigate bulk photovoltaic effects, with a specific focus on shift-current and injection-current. Initially, we perform a numerical analysis of the direct current (dc) induced by a laser pulse with a one-dimensional…
We prove that the electron density function of a real physical system can be uniquely determined by its values on any finite subsystem. This establishes the existence of a rigorous density-functional theory for any open electronic system.…
Modeling relaxation phenomena in complex media is central to understanding multiscale dynamics in materials science, bioengineering and condensed matter physics. Existing fractional-order models, while flexible, sometimes lack physical…
A function has been proposed to evaluate the electron density model constructed by inverse Fourier transform using the observed structure amplitudes and trial phase set. The strategy of this function is applying an imaginary electron…
This paper develops a quantitatively accurate first-principles description for the frequency and the linewidth of collective electronic excitations in inhomogeneous weakly disordered systems. A finite linewidth in general has intrinsic and…
Flexoelectricity describes the coupling between polarization and strain/stress gradients in insulating crystals. In this paper, using the Landau-Ginsburg-Devonshire phenomenological approach, we found that flexoelectricity could increase…
We present an overview of current-induced effects in nanoscale conductors with emphasis on their description at the atomic level. In particular, we discuss steady-state current fluctuations, current-induced forces, inelastic scattering and…
In this paper we study the expectation values of the induced charge and current densities for a massive bosonic field with nonzero chemical potential in the geometry of a higher dimensional compactified cosmic string with magnetic fluxes,…
Nanoscale optoelectronics and molecular-electronics systems operate with current injection and nonequilibrium tunneling, phenomena that challenge consistent descriptions of the steady-state transport. The current affects the…
Computing the temperature and stress dependence of the full elastic constant tensor from first-principles in non-cubic materials remains a challenging problem. Here we circumvent the aforementioned challenge via the generalized…
We review different definitions of the current density for quantized fermions in the presence of an external electromagnetic field. Several deficiencies in the popular prescription due to Schwinger and the mode sum formula for static…
Mesogenic dimers in the twist-bend nematic phase exhibit much higher flexoelectric polarization than in their uniform nematic phase. In order to theoretically investigate this data, we extend the symmetry based linear elastic theory of the…