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A non-empirical exchange functional based on an interpolation between two limits of electron density: slowly varying limit and asymptotic limit, is proposed. In the slowly varying limit, we follow the study by Kleinman in 1984 which…

Materials Science · Physics 2020-08-04 Teepanis Chachiyo , Hathaithip Chachiyo

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)…

Materials Science · Physics 2023-01-18 Yunfan Liang , Min Cai , Lang Peng , Zeyu Jiang , Damien West , Ying-Shuang Fu , Shengbai Zhang

We study the tunneling dynamics of dopant-induced hole polarons which are self-localized by electron-phonon coupling in a two-dimensional antiferro- magnet. Our treatment is based on a path integral formulation of the adia- batic…

Superconductivity · Physics 2009-04-27 K. Yonemitsu , J. Zhong , H. -B. Schuttler

Eliashberg theory provides a theoretical framework for understanding the phenomenon of superconductivity when pairing between two electrons is mediated by phonons, and retardation effects are fully accounted for. However, when a direct…

Superconductivity · Physics 2022-05-24 F. Marsiglio

We explore the properties of the bipolaron in a 1D Holstein-Hubbard model with dynamical quantum phonons. Using a recently developed variational method combined with analytical strong coupling calculations, we compute correlation functions,…

Strongly Correlated Electrons · Physics 2007-05-23 J. Bonca , T. Katrasnik , S. A. Trugman

We review basic theoretical concepts and developments regarding the local and itinerant properties of off-center vibronic polarons in crystals. These include the electron self-trapping and the local rotation of the species on a square…

Superconductivity · Physics 2007-05-23 M. Georgiev

Some critical remarks are made regarding a series of works by V.K. Mukhomorov dealing with polarons and oscillatory and rotational spectrum of a large-radius bipolaron near a subsidiary minimum corresponding to its two-center configuration.…

Other Condensed Matter · Physics 2013-04-22 N. I. Kashirina , V. D. Lakhno

In many organic molecules the strong coupling of excess charges to vibrational modes leads to the formation of polarons, i.e., a localized state of a charge carrier and a molecular deformation. Incoherent hopping of polarons along the…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 Benjamin B. Schmidt , Matthias H. Hettler , Gerd Schön

Numerically "exact" methods addressing the dynamics of coupled electron--phonon systems have been intensively developed. Nevertheless, the corresponding results for the electron mobility $\mu_\mathrm{dc}$ are scarce, even for the…

Strongly Correlated Electrons · Physics 2023-09-12 Veljko Janković

It is generally accepted that the dynamical mean field theory gives a good solution of the Holstein model, but only in dimensions greater than two. Here, we show that this theory, which becomes exact in the weak coupling and in the atomic…

Strongly Correlated Electrons · Physics 2022-08-24 Petar Mitrić , Veljko Janković , Nenad Vukmirović , Darko Tanasković

The dynamical interplay between electron-electron interactions and electron-phonon coupling is investigated within the Anderson-Holstein model, a minimal model for open quantum systems that embody these effects. The influence of phonons on…

Strongly Correlated Electrons · Physics 2016-05-25 Hsing-Ta Chen , Guy Cohen , Andrew J. Millis , David R. Reichman

We present polaron effective masses and selected polaron band structures of the Holstein molecular crystal model in 1-D as computed by the Global-Local variational method over a wide range of parameters. These results are augmented and…

Strongly Correlated Electrons · Physics 2009-10-31 Aldo H. Romero , David W. Brown , Katja Lindenberg

We propose a quantum simulation of small-polaron physics using a one-dimensional system of trapped ions acted upon by off-resonant standing waves. This system, envisioned as an array of microtraps, in the single-excitation case allows the…

Quantum Gases · Physics 2012-12-18 Vladimir M. Stojanovic , Tao Shi , C. Bruder , J. Ignacio Cirac

We compare standard perturbation theory with the polaron transformation for non-linear transport of electrons through a two-level system. For weak electron-phonon coupling and large bias, there is good agreement between both approaches.…

Mesoscale and Nanoscale Physics · Physics 2017-08-23 T. Brandes , T. Vorrath

We investigate the Holstein mechanism in a single-electron (one-site) system, where unitary evolution intrinsically involves both fermion and boson operators under nonadiabatic conditions. The resulting unitary dynamics and boson-frequency…

Disordered Systems and Neural Networks · Physics 2025-12-02 Chen-Huan Wu

When an electron interacts with phonons, the electron can exhibit either free electron-like or polaron-like properties. The latter tends to occur for very strong coupling, and results in a phonon cloud accompanying the electron as it moves,…

Superconductivity · Physics 2012-11-21 Zhou Li , F. Marsiglio

The hopping of an electron, interacting with many ions of a lattice via the long-range (Fr\"{o}hlich) electron-phonon interaction and optical absorption are studied at zero temperature. Ions are assumed to be isotropic three-dimensional…

Quantum Physics · Physics 2007-05-23 B. Ya. Yavidov

Evidence from first-principles calculations indicates that excess electrons in BiFeO$_3$ form small polarons with energy levels deep inside the electronic band gap. Hence, $n$-type electronic transport could occur by hopping of small…

Materials Science · Physics 2025-09-24 Sabine Körbel

It is widely accepted that phonon-mediated high-temperature superconductivity is impossible at ambient pressure, because of the very large effective masses of polarons/bipolarons at strong electron-phonon coupling. Here we challenge this…

Superconductivity · Physics 2019-04-29 John Sous , Monodeep Chakraborty , Roman V. Krems , Mona Berciu

We study the coherent dynamics of a Holstein polaron in strong electric fields. A detailed analytical and numerical analysis shows that even for small hopping constant and weak electron-phonon interaction, polaron states can become…

Condensed Matter · Physics 2009-11-07 Wei Zhang , Alexander O. Govorov , Sergio E. Ulloa