Related papers: Static Born charges and quantum capacitance in met…
We show how to define a quantized many-body charge polarization $\vec{\mathscr{P}}$ for (2+1)D topological phases of matter, even in the presence of non-zero Chern number and magnetic field. For invertible topological states,…
Optically controlled coherent dynamics of charge (excitonic) degrees of freedom in a semiconductor quantum dot under the influence of lattice dynamics (phonons) is discussed theoretically. We show that the dynamics of the lattice response…
Charged domain walls and boundaries in ferroelectric materials display distinct phenomena, such as an increased conductivity due to the accumulation of bound charges. Here, we report the electron microscopy observations of atomic-scale…
Long-range interactions and electric response are essential for accurate modeling of condensed-phase systems, but capturing them efficiently remains a challenge for atomistic machine learning. Traditionally, these two phenomena can be…
In this work, we discuss the resonance states of a quantum particle in a periodic potential plus a static force. Originally this problem was formulated for a crystal electron subject to a static electric field and it is nowadays known as…
Interactions mediated by electron-phonon coupling are responsible for important cooperative phenomena in metals such as superconductivity and charge-density waves. The same interaction mechanisms produce strong collision rates in the normal…
Polarons can naturally form in materials from the interaction of extra charge carriers with the atomic lattice. Ubiquitous, they are central to various topics and phenomena such as high-T$_c$ superconductivity, electrochromism,…
We describe coupled electron-phonon systems semiclassically - Ehrenfest dynamics for the phonons and quantum mechanics for the electrons - using a classical Monte Carlo approach that determines the nonequilibrium response to a large pump…
The methods of density-functional perturbation theory may be used to calculate various physical response properties of insulating crystals including elastic, dielectric, Born charge, and piezoelectric tensors. These and other important…
A generic lattice cut-off model is introduced describing the quantum meandering of a single cuprate stripe. The fixed point dynamics is derived, showing besides free string behavior a variety of partially quantum disordered phases, bearing…
The crystal structure and phonon dynamics of pentacene is computed with the Quasi Harmonic Lattice Dynamics (QHLD) method, based on atom-atom potential. We show that two crystalline phases of pentacene exist, rather similar in thermodynamic…
The influence of quantized electromagnetic fields on a nonrelativistic charged particle moving near a conducting plate is studied. We give a field-theoretic derivation of the nonlinear, non-Markovian Langevin equation of the particle by the…
Atomic properties of warm dense matter is an active field of research. Understanding transport properties of these states is essential for providing coefficients needed by magneto-radiative hydrodynamics codes for many studies, including…
We propose a first-principle method for evaluations of the time-dependent electron distribution function of excited electrons in the conduction band of semiconductors. The method takes into account the excitations of electrons by external…
We demonstrate that energy levels of excited states in a hydrogenic system consisting of an arbitrary nucleus and an antiproton can be calculated within the framework of nonrelativistic quantum electrodynamics, even for a large nuclear…
It is known that a nucleus with charge $Ze$ where $Z>170$ creates electron-positron pairs from the vacuum. These electrons collapse onto the nucleus resulting in a net charge $Z_n<Z$ while the positrons are emitted. This effect is due to…
The intrinsic charge transport of stanene is investigated by using density function theory and density function perturbation theory coupled with Boltzmann transport equations from first principles. The accurate Wannier interpolations are…
We develop a fundamental theory of the long-range electrostatic interactions in two-dimensional crystals by performing a rigorous study of the nonanalyticities of the Coulomb kernel. We find that the dielectric functions are best…
A solid ionic conductor with cation conductivity in the interelectrode region is studied. Due to their large size, the anions are considered fixed and form a homogeneous neutralizing electric background. The model can be used to describe…
Structural and electronic properties of CaCu{3}Ti{4}O{12} have been calculated using density-functional theory within the local spin-density approximation. After an analysis of structural stability, zone-center optical phonon frequencies…