Related papers: Migration volume for polaron dielectric relaxation…
Polarons, which arise from the self-trapping interaction between electrons and lattice distortions in a solid, have been known and extensively investigated for nearly a century. Nevertheless, the study of polarons continues to be an active…
The strengths and short-comings of the point-dipole model for polar fluids of spherical molecules are illustrated by considering the physically more relevant case of extended dipoles formed by two opposite charges $\pm q$ separated by a…
In polarizable materials, electronic charge carriers interact with the surrounding ions, leading to quasiparticle behaviour. The resulting polarons play a central role in many materials properties including electrical transport, optical…
In the present study we revise the possible polaron contribution to the charge and energy transfer over long distances in biomolecules like DNA. The harmonic and the simple inharmonic ($U(x) = x^2/2 - \beta x^3/3$) lattices are considered.…
This paper combines experimental and modelling studies to provide a detailed examination of the influence of porosity volume fraction and morphology on the polarisation-electric field response of ferroelectric materials. The broadening of…
Herein we employed high-resolution spectroscopic techniques in combination with periodic ab initio density functional theory (DFT) calculations to establish the different polarization processes for a porous copper-based MOF, termed HKUST-1.…
We discuss memory effects in the conductance of hopping insulators due to slow rearrangements of many-electron clusters leading to formation of polarons close to the electron hopping sites. An abrupt change in the gate voltage and…
We consider a confined sheared active polar liquid crystal with a uniform orientation and study the effect of variations in the magnitude of polarization. Restricting our analysis to one-dimensional geometries, we demonstrate that with…
The response function of graphene is calculated in the presence of a constant current across the sample. For small drift velocities and finite chemical potential, analytic expressions are obtained and consequences on the plasmonic…
Stimuli-responsive materials that modify their shape in response to changes in environmental conditions -- such as solute concentration, temperature, pH, and stress -- are widespread in nature and technology. Applications include micro- and…
The photo-induced electron and hole transfer across the semiconductor-dielectric interface in trap dominated p-type organic field-effect transistors (OFETs) has been investigated. It has been observed that the transfer of electrons into the…
We present the first numerically exact study of a polaron with quadratic coupling to the oscillator displacement, using two alternative methodological developments. Our results cover both anti-adiabatic and adiabatic regimes and the entire…
A technique is proposed that uses a multi-scale approach to calculate transport properties of compressed felts using only image analysis and numerical calculations. From the image analysis fiber diameter distribution and fiber orientation…
Numerical results for the polaron dispersion are presented for an arbitrary number of space dimensions. Upper and lower bounds are calculated for the dispersion curves. They are rather close to each other in the cases of small…
The imbalance of normal stress around a particle induces its transverse migration in pressure-driven viscoelastic flow, offering possibilities for particle manipulation in microfluidic devices. Theoretical predictions align with…
We have performed a comprehensive computational study of the vibrational properties and electron-phonon couplings in the three known polymorphs of pentacene. Vibrational patterns and electron-phonon interactions were calculated at several…
A theory of thermoelectric phenomena in superfluid $^4He$ is developed. It is found an estimation of the dipole moment of helium atom arising due to electron shell deformation caused by pushing forces from the side of its surrounding atoms.…
Relaxation volume tensors quantify the effect of stress on diffusion of crystal defects. Continuum linear elasticity predicts that calculations of these parameters using periodic boundary conditions do not suffer from systematic deviations…
By considering a metal/polymer/metal structure within a tight-binding one-dimensional model, we have investigated the polaron formation in the presence of an electric field. When a sufficient voltage bias is applied to one of the metal…
The non-equilibrium structural and dynamical properties of a semiflexible polymer confined in a cylindrical microchannel and exposed to a Poiseuille flow is studied by mesoscale hydrodynamic simulations. For a polymer with a length half of…