Related papers: Ab Initio Polaron Wave Functions
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,…
Confinement processes arranging small polarons into insulating periodic structures above certain conversion tempereture are considered. Vibronic (Jahn-Teller) polarons associating inherent electric & magnetic dipoles coupled to external…
Starting from recent advances in the first-principles modeling of polarons, variational polaron equations in the strong-coupling adiabatic approximation are formulated in Bloch space. In this framework, polaron formation energy as well as…
Polarons, that is, charge carriers correlated with lattice deformations, are ubiquitous quasiparticles in semiconductors, and play an important role in electrical conductivity. To date most theoretical studies of so-called large polarons,…
Using long C_{N}H_{2} conjugated carbon chains with the polyynic structure as prototypical examples of one-dimensional (1D) semiconductors, we discuss self-localization of excess charge carriers into 1D large polarons in the presence of the…
The ground-state energy, the effective mass and the number of virtual phonons of the optical large polaron confined strictly in one dimension have been estimated by using the generalized Gaussian approximation. The leading-order terms take…
We present a detailed and self-contained theoretical study of polarons in two-dimensional (2D) polar materials, which extends the classical macroscopic theory of Fr\"ohlich polarons to the 2D case. The theory is fully determined by…
A generalized version of the rotating-wave approximation for the single-mode spin-boson Hamiltonian is presented. It is shown that performing a simple change of basis prior to eliminating the off-resonant terms results in a significantly…
The electronic structure of condensed matter can be significantly affected by the electron-phonon interaction, leading to important phenomena such as electrical resistance, superconductivity or the formation of polarons. This interaction is…
Accurately determining the coupling strength between polaron states is essential to describe charge-hopping transport in materials. In this work, we revisit methodologies to extract coupling strengths using ab initio approaches. Our…
For many physical quantities, theory supplies weak- and strong-coupling expansions of the types $\sum a_n \alpha ^n$ and $ \alpha ^p\sum b_n (\alpha^{-2/q) ^n$, respectively. Either or both of these may have a zero radius of convergence. We…
In a solid, electrons can be scattered both by phonons and other electrons. First proposed by Landau, scattering by phonons can lead to a composite entity called a polaron, in which a lattice distortion traps an itinerant electron (or hole)…
Spectral functions are important quantities that contain a wealth of information about the quasiparticles of a system, and that can also be measured experimentally. For systems with electron-phonon coupling, good approximations for the…
A new variational technique is developed to investigate the polaronic features of the Holstein Molecular Crystal Model. It is based on a linear superposition of Bloch states that describe large and small polaron wave functions. It is shown…
The paper deals with the ground and the first excited state of the polaron in the one dimensional Holstein model. Various variational methods are used to investigate both the weak coupling and strong coupling case, as well as the crossover…
We briefly report our recent progress on the study of the polarized fragmentation functions of $\Lambda$ hyperon in unpolarized semi-inclusive deep-inelastic scatterings and electron-positron annihilations at low energies. In particular, we…
Bipolaron energies are calculated as a function of wave vector by a variational method of Gurari appropriate for weak or intermediate coupling strengths, for a model with electron-phonon interactions independent of phonon wave vectors and a…
The polaron has been of interest in condensed matter theory and field theory for about half a century, especially the limit of large coupling constant. It was not until 1983, however, that a proof of the asymptotic formula for the ground…
We investigate the valence intraband transitions in p-doped self-assembled InAs quantum dots using far-infrared magneto-optical technique with polarized radiation. We show that a purely electronic model is unable to account for the…
According to recent Quantum Monte Carlo simulations the small polaron theory is practically exact in a wide range of the long-range (Frohlich) electron-phonon coupling and adiabatic ratio. We apply the Lang-Firsov transformation to convert…