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We present a self-consistent many-body framework for computing phonon-limited electronic transport from first principles, incorporating both beyond-quasiparticle effects and vertex corrections. Using the recently developed first-principles…

Materials Science · Physics 2026-03-11 Jae-Mo Lihm , Samuel Poncé

We study transport through a double quantum dot system in which each quantum dot is coupled to a phonon mode. Such a system can be realized, e.g., using a suspended carbon nanotube. We find that the interplay between strong electron-phonon…

Mesoscale and Nanoscale Physics · Physics 2013-11-26 Stefan Walter , Björn Trauzettel , Thomas L. Schmidt

The Hubbard-Holstein model is a simple model including both electron-phonon interaction and electron-electron correlations. We review a body of theoretical work investigating the effects of strong correlations on the electron-phonon…

Strongly Correlated Electrons · Physics 2014-11-20 M. Capone , C. Castellani , M. Grilli

We analyze the nonequilibrium transport properties of a quantum dot with a harmonic degree of freedom (Holstein phonon) coupled to metallic leads, and derive its full counting statistics (FCS). Using the Lang-Firsov (polaron)…

Mesoscale and Nanoscale Physics · Physics 2011-02-11 S. Maier , T. L. Schmidt , A. Komnik

elphbolt is a modern Fortran (2018 standard) code for efficiently solving the coupled electron-phonon Boltzmann transport equations from first principles. Using results from density functional and density functional perturbation theory as…

Materials Science · Physics 2023-06-19 Nakib H. Protik , Chunhua Li , Miguel Pruneda , David Broido , Pablo Ordejón

We formulate an ab initio downfolding scheme for electron-phonon coupled systems. In this scheme, we calculate partially renormalized phonon frequencies and electron-phonon coupling, which include the screening effects of high-energy…

Strongly Correlated Electrons · Physics 2015-12-10 Yusuke Nomura , Ryotaro Arita

Electron-phonon and electron-electron interactions are in competition in determining the properties of molecular charge transfer conductors and superconductors. The direct influence of phonons on the electron-electron interaction was not…

Strongly Correlated Electrons · Physics 2009-10-31 M. Meneghetti

In this paper we investigate from first principles the effect of the electron-phonon interaction in two paradigmatic nanostructures: trans-polyacetylene and polyethylene. We found that the strong electron-phonon interaction leads to the…

Materials Science · Physics 2013-04-02 Elena Cannuccia , Andrea Marini

Electronic coupling matrix elements are important to the theoretical description of electron transfer processes. However, they are notoriously difficult to obtain accurately from time- dependent density functional theory (TDDFT). Here, we…

Chemical Physics · Physics 2018-12-07 Debashree Manna , Jochen Blumberger , Jan M. L. Martin , Leeor Kronik

We introduce a spin-orbit assisted electron-phonon (e-ph) coupling mechanism for carriers in semiconductor quantum wells and predict qualitatively the form and shape of anticrossings between the cyclotron resonance (CR) and optical (LO and…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 D. S. L. Abergel , Vladimir I. Fal'ko

We review the current situation in the theory of superconducting and transport properties of MgB2. First principle calculations of of the electronic structure and electron-phonon coupling are discussed and compared with the experiment. We…

Superconductivity · Physics 2009-11-07 I. I. Mazin , V. P. Antropov

Coupling an isolated emitter to a single mode of the electromagnetic field is now routinely achieved and well understood. Current efforts aim to explore the coherent dynamics of emitters coupled to several electromagnetic modes (EM).…

Molecular motion at metallic surfaces is affected by nonadiabatic effects and electron-phonon coupling. The ensuing energy dissipation and dynamical steering effects are not captured by classical molecular dynamics simulations, but can be…

Materials Science · Physics 2021-12-02 Connor L. Box , Wojciech G. Stark , Reinhard J. Maurer

Thin films are gaining ground in photonics and optoelectronics, promising improvements in their efficiency and functionality as well as decreased material usage as compared to bulk technologies. However, proliferation of thin films would…

Optics · Physics 2021-11-12 Pyry Kivisaari , Mikko Partanen , Toufik Sadi , Jani Oksanen

We perform investigation of Hubbard model with interaction between strongly correlated conducting electrons on a lattice with Debye phonons. To solve the problem generalized dynamical mean-field DMFT+\Sigma method is employed with…

Strongly Correlated Electrons · Physics 2009-10-02 E. Z. Kuchinskii , I. A. Nekrasov , M. V. Sadovskii

Electron-phonon(e-ph) interaction in Ca2N monolayer, the first electrene material with two-dimensional(2D) electron gas floating in free space, is expected to be very weak and such a character can be used to design weak-scattering transport…

Computational Physics · Physics 2018-12-05 Xiongzhi Zeng , Songtao Zhao , Zhenyu Li , Jinlong Yang

We analyze theoretically the effects of electron-phonon interaction in the dynamics of an electron that can be trapped to a localized state and detrapped to an extended band state of a small quantum dot (QD) using a simple model system. In…

Mesoscale and Nanoscale Physics · Physics 2021-12-03 R. Carmina Monreal

Correlation is a fundamental statistical measure of order in interacting quantum systems. In solids, electron correlations govern a diverse array of material classes and phenomena such as heavy fermion compounds, Hunds metals, high-Tc…

Mesoscale and Nanoscale Physics · Physics 2017-01-13 Matthias Muenks , Peter Jacobson , Markus Ternes , Klaus Kern

We investigate the interplay of the electron-phonon and the spin fluctuation interaction for the superconducting state of YBa$_2$Cu$_3$O$_{7}$. The spin fluctuations are described within the nearly antiferromagnetic Fermi liquid theory,…

Superconductivity · Physics 2009-10-31 T. S. Nunner , J. Schmalian , K. H. Bennemann

We theoretically investigate spin-dependent carrier dynamics due to the electron-phonon interaction after ultrafast optical excitation in ferromagnetic metals. We calculate the electron-phonon matrix elements including the spin-orbit…

Materials Science · Physics 2015-05-30 Sven Essert , Hans Christian Schneider