Related papers: Spontaneous charge carrier localization in extende…
We study the interplay of disorder and interaction effects including bosonic degrees of freedom in the framework of a generic one-dimensional transport model, the Anderson-Edwards model. Using the density-matrix renormalization group…
We report that a dielectric polymer chain, constrained at both ends, sharply collapses when exposed to a high electric field. The chain collapse is driven by nonlocal dipolar interactions and anisotropic polarization of monomers, a…
The processes of Coulomb gas ordering in 3D layered system are studied by means of Brownian dynamics approach. It is found that at different densities of the carriers the 3D lattice of charges as well as new specific structures are possible…
Elucidating transport mechanisms and predicting transport coefficients is crucial for advancing material innovation, design, and application. Yet, state-of-the-art calculations are restricted to exact simulations of small lattices with…
By engineering laser-atom interactions, both Hall ribbons and Hall cylinders as fundamental theoretical tools in condensed matter physics have recently been synthesized in laboratories. Here, we show that turning a synthetic Hall ribbon…
We use first-principles computational methods to examine hole trapping in organic molecular crystals. We present a computational scheme based on the tuning of the fraction of exact exchange in hybrid density functional theory to eliminate…
Hybrid organic-inorganic halide perovskites have shown remarkable optoelectronic properties (1-3), believed to originate from correlated motion of charge carriers and the polar lattice forming large polarons (4-7). Few experimental…
Based on a selfconsistent theory of localization we study the electron transport properties of a disordered system in the framework of the Anderson model on a Bethe lattice. In the calculation of the dc conductivity we separately discuss…
We present a theoretical study of the wave packet dynamics of the H$_2^+$ molecular ion in plasmon-enhanced laser fields. Such fields may be produced, for instance, when metallic nano-structures are illuminated by a laser pulse of moderated…
Controlling the effects of photoexcited polarons in transition metal oxides can enable the long timescale charge separation necessary for renewable energy applications as well as controlling new quantum phases through dynamically tunable…
We consider a three dimensional Wigner crystal of electrons lying in a host ionic dielectric. Owing to their interaction with the lattice polarization, each localized electron forms a polaron. We study the collective excitations of such a…
Many-polaron systems with finite charge-carrier density are often encountered experimentally. However, until recently, no satisfactory theoretical description of these systems was available even in the framework of simple models such as the…
We consider the problem of electron transport along a one-dimensional disordered multiple-scattering conductor, and study the electron density for all the electronic levels. A model is proposed for the reduced density matrix of the system…
The isothermal, isobaric spontaneous crystallization of a supercooled polymer melt is investigated by MD simulation of an ensemble of fully-flexible linear chains. Frustration is introduced via two incommensurate length scales set by the…
The system of cavity polaritons driven by a plane electromagnetic wave is found to undergo the spontaneous breaking of spatial symmetry, which results in a lifted phase locking with respect to the driving field and, consequently, in the…
We discuss vibrational localization problems in glasses and disordered media in this paper. It is claimed that the essence of the localization problem is already observed in disordered lattice models. These kinds of vibrations belong to a…
We develop a model for charge trapping on conjugated polymer chains using a continuous representation of the polymer. By constraining the motion to along the chain, we find that kinks along the chain serve as points of attraction and can…
We show that, in contrast to immediate intuition, Anderson localization of noninteracting particles induced by a disordered potential in free space can increase (i.e., the localization length can decrease) when the particle energy…
Ionic crystals, such as solid electrolytes and complex oxides, are central to modern technologies for energy storage, sensing, actuation, and other functional applications. An important fundamental issue in the atomic and quantum-scale…
A simple model for the autolocalization of a free charged particle is presented. The polarization well in the model is deep enough for only one localized level. In dielectric materials with a sufficiently large dielectric constant, two…