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We present exact diagonalization and momentum average approximation (MA) results for the single polaron properties of a one-dimensional two-band model with phonon-modulated hopping. At strong electron-phonon coupling, we find a novel type…

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…

Polarons are quasiparticles that arise from the interaction of electrons or holes with lattice vibrations. Though polarons are well-studied across multiple disciplines, experimental observations of polarons in two-dimensional crystals are…

We develop a theoretical and computational framework to study polarons in semiconductors and insulators from first principles. Our approach provides the formation energy, excitation energy, and wavefunction of both electron and hole…

Studies of Hamiltonians modeling the coupling between electrons as well as to local phonon excitations have been fundamental in capturing the novel ordering seen in many quasi-one dimensional condensed matter systems. Extending studies of…

We study a type of port-Hamiltonian system, in which the controller or disturbance is not applied to the flow variables, but to the systems power, a scenario that appears in many practical applications. A suitable framework is provided to…

We present a dynamical mean-field study of the nonperturbative electronic mechanisms, which may lead to significant enhancements of the electron-phonon coupling in correlated electron systems. Analyzing the effects of electronic…

We study, at zero temperature, the dynamics of a single electron in a Holstein model augmented by site-diagonal, binary-alloy type disorder. The average over the phonon vacuum and the alloy configurations is performed within a generalized…

Polaritonic lattices offer a unique testbed for studying nonlinear driven-dissipative physics. They show qualitative changes of a steady state as a function of system parameters, which resemble non-equilibrium phase transitions. Unlike…

We investigate the Holstein model by using the dynamical mean-field theory combined with the exact diagonalization method. Below a critical temperature Tcr, a coexistence of the polaronic and the bipolaronic solutions is found for the same…

The description of an impurity atom in a Bose-Einstein condensate can be cast in the form of Frohlich's polaron Hamiltonian, where the Bogoliubov excitations play the role of the phonons. An expression for the corresponding polaronic…

Recently there has been an increase in demand for soft and biocompatible electronic devices capable of withstanding large stretch. Ionically conductive polymers present a promising class of soft materials for these emerging applications due…

We introduce a non-linear differential flow equation for density matrices that provides a monotonic decrease of the free energy and reaches a fixed point at the Gibbs thermal state. We use this equation to build a variational approach for…

Here we study the polaronic transport through molecules weakly connected to metallic electrodes in the nonlinear response regime. Molecule itself is treated as a quantum dot with discrete energy levels, its connection to the electrodes is…

We show that in crystals where light ions are symmetrically intercalated between heavy ions, the electron-phonon coupling for carriers located at the light sites cannot be described by a Holstein model. We introduce the double-well…

We present a novel theory of charge-carrier mobilities in organic molecular crystals of high purity. Our approach is based on Holstein's original concept of small-polaron bands but generalized with respect to the inclusion of nonlocal…

Predicting the electrical properties of organic molecular crystals (OMCs) is challenging due to their complex crystal structures and electron-phonon (e-ph) interactions. Charge transport in OMCs is conventionally categorized into two…

We consider the formation and stability of the vibronic polaron arising in a degenerate or nearly degenerate electronic system coupled to an appropriate vibrational mode. We define the electron-phonon coupling as a mixing of the electronic…

In this work, the effect of electron-phonon (e-ph) coupling on both electron and phonon transport of metals is investigated via first principles calculations. A Monte-Carlo (MC) approach for solving the coupled electron-phonon Boltzmann…

Helical liquids, formed by time-reversal pairs of interacting electrons in topological edge channels, provide a platform for stabilizing topological superconductivity upon introducing local and nonlocal pairings through the proximity…