Related papers: Flexoelectricity from density-functional perturbat…
We develop the theory for dynamics of the out-of-plane deformations in flexible two-dimensional materials. We focus on study of attenuation of flexural phonons in free-standing crystalline membranes. We demonstrate that the dynamical…
Flexoelectricity has garnered much attention owing to its ability to bring electromechanical functionality to non-piezoelectric materials and its nanoscale significance. In order to move towards a more complete understanding of this…
Using Kubo's linear response theory, we derive expressions for the frequency-dependent electrical conductivity (Kubo-Greenwood formula), thermopower, and thermal conductivity in a strongly correlated electron system. These are evaluated…
Using the in-in formalism, we generalize the recently constructed magnetoelastic EFT arXiv:2112.13873 [hep-th] to describe the damping dynamics of ferromagnetic systems at long wavelengths. We find that the standard Gilbert damping term…
We use ab initio electronic-structure methods to investigate random-matrix theory (RMT) universality in molecular electronic structure. Using single-reference electronic structure methods, including Hartree-Fock, configuration-interaction…
In charge-coupled circuit QED systems, transition amplitudes and dispersive shifts are governed by the matrix elements of the charge operator. For the fluxonium circuit, these matrix elements are not limited to nearest-neighbor energy…
The problem of finding the elastic strains arising due to the converse flexoelectric effect is solved for a case of uniformly polarized ball of isotropic dielectric material. The strains occurs due to the fact that, as shown in a previous…
We present a simple formalism for the calculation of the derivatives of the electronic density matrix at any order, within density functional theory. Our approach, contrary to previous ones, is not based on the perturbative expansion of 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 universal functional of Hohenberg-Kohn is given as a coupling-constant integral over the density as a functional of the potential. Conditions are derived under which potential-functional approximations are variational. Construction via…
Density functional theory is generalized to incorporate electron-phonon coupling. A Kohn-Sham equation yielding the electronic density $n_U(\mathbf{r})$, a conditional probability density depending parametrically on the phonon normal mode…
The first order standard perturbation theory combined with ab initio projector augmented wave operator challenges the realization of the standard Sternheimer equation with linear computational efficiency. This efficiency motivates us to…
Working in the crystal-momentum representation, we calculate the optical conductivity of noncentrosymmetric insulating crystals at first order in the wave vector of light. The time-even part of this tensor describes natural optical activity…
We introduce a spectral density functional theory which can be used to compute energetics and spectra of real strongly--correlated materials using methods, algorithms and computer programs of the electronic structure theory of solids. The…
The direct calculation of the elastic and piezoelectric tensors of solids can be accomplished by treating homogeneous strain within the framework of density-functional perturbation theory. By formulating the energy functional in reduced…
An electromagnetic response of a single graphene layer to a uniform, arbitrarily strong electric field $E(t)$ is calculated by solving the kinetic Boltzmann equation within the relaxation-time approximation. The theory is valid at low…
We show that the main properties of the fracton quasiparticles can be derived from a generalized covariant Maxwell-like action. Starting from a rank-2 symmetric tensor field $A_{\mu\nu}(x)$, we build a partially symmetric rank-3 tensor…
The engineered class of anti-tetrachiral cellular materials is phenomenologically characterized by a strong auxeticity of the elastic macroscopic response. The auxetic behavior, accompanied by a marked anisotropy, is activated by rolling-up…
Formulas for the longitudinal dielectric permeability in quantum non-degenerate and maxwellian collisional plasma with the frequency of collisions proportional to the module of the wave vector, in Mermin's approach, are received. Equation…
Closed analytical formulas are derived for the differential and total cross sections of the non-relativistic photoelectric effect in the three main classes of few-electron atomic systems: (1) neutral atoms and positively charged atomic ions…