Related papers: Flexoelectricity from density-functional perturbat…
A density functional theory (DFT) of lattice fermion models is presented, which uses the single-particle density matrix gamma_{ij} as basic variable. A simple, explicit approximation to the interaction-energy functional W[gamma] of the…
We formulate the Kohn-Sham equations for the fractional quantum Hall effect by mapping the original electron problem into an auxiliary problem of composite fermions that experience a density dependent effective magnetic field.…
We present a theory of the linear and nonlinear optical characteristics of the insulating phase of the Falicov-Kimball model within the self-consistent mean-field approximation. The Coulomb attraction between the itinerant d-electrons and…
A flexoelectric peridynamic (PD) theory is proposed. Using the PD framework, the formulation introduces, perhaps for the first time, a nanoscale flexoelectric coupling that entails non-uniform strain in centrosymmetric dielectrics. This…
Exact propagator of density matrix of particle (electron) under influence of thermal vibrations of its medium (phonons) is treated in simplest approximation beyond the Fermi's golden rule. It is shown that uncertainties \,$\sim\h/t$\, in…
Frozen Density Embedding Theory (FDET) [Wesolowski {\it Phys. Rev. A} {\bf 77}, 012504 (2008)] provides the interpretation of the eigenvalue equations for an embedded $N'$-electron wavefunction, in which the embedding operator is…
An original approach is suggested to analysis of full quantum Liouville equation for single electron (quantum particle) interacting with ideal phonon gas (harmonic boson thermostat). It is shown that under the thermodynamic limit this…
The derivative discontinuity is a key concept in electronic structure theory in general and density functional theory in particular. The electronic energy of a quantum system exhibits derivative discontinuities with respect to different…
Generalized Langevin equation for characteristic functional of many-electron system dynamically interacting with a thermostat and besides subjected to external perturbation and observation is derived and formulated in terms of one-particle…
We extend a microscopic theory of polarization and magnetization to include the spin degree of freedom of the electrons, introducing a general spin orbit coupling and Zeeman interaction term in the Hamiltonian. At finite frequencies and…
The electron density $n(\rb,t)$, which is the central tool of time-dependent density functional theory, is presently considered to be derivable from a one-body time-dependent potential $V(\rb,t)$, via one-electron wave functions satisfying…
We discuss theoretically and numerically the intramolecular form factor $F(q)$ in dense polymer systems. Following Flory's ideality hypothesis, chains in the melt adopt Gaussian configurations and their form factor is supposed to be given…
Rotation and reflection symmetries impose that out-of-plane (flexural) phonons of free-standing graphene membranes have a quadratic dispersion at long wavelength and can be excited by charge carriers in pairs only. As a result, we find that…
In this paper, a consistent theory is developed for size-dependent piezoelectricity in dielectric solids. This theory shows that electric polarization can be generated as the result of coupling to the mean curvature tensor, unlike previous…
The propagation front of a crack generates large strain gradients and it is therefore a strong source of gradient-induced polarization (flexoelectricity). Herein, we demonstrate that, in piezoelectric materials, a consequence of…
We introduce a numerically exact and computationally feasible nonlinear-response theory developed for lossy superconducting quantum circuits based on a framework of quantum dissipation in a minimally extended state space. Starting from the…
Electro-active materials are classified as electrostrictive and piezoelectric materials. They deform under the action of an external electric field. Piezoelectric material, as a special class of active materials, can produce an internal…
Detailed deducing of formulas for longitudinal electric conductivity and dielectric permeability in the quantum degenerate collisional plasma with constant collision frequency in Mermin' approach is given. The kinetic…
Fluctuation theorems are key to understanding both fundamental and applied aspects of non-equilibrium thermodynamics of small systems. We study the non-Markovian entropy production fluctuation theorem for the diffusion process of charged…
Flexoelectricity phenomenon is the response of electric polarization to an applied strain gradient and is developed as a consequence of crystal symmetry in all materials. In this study, we show that the presence of strain gradient in…