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A method is proposed for the inclusion of electron correlation in the calculation of the temperature dependence of band structures arising from electron-phonon coupling. It relies on an efficient exploration of the vibrational phase space…

Materials Science · Physics 2016-03-04 Bartomeu Monserrat

In polar insulators where longitudinal and transverse optical phonon modes differ substantially, the electron-phonon coupling affects the energy-band structure primarily through the long-range Fr\"ohlich contribution to the Fan term. This…

Materials Science · Physics 2017-09-27 Walter R. L. Lambrecht , Churna Bhandari , Mark van Schilfgaarde

In polar semiconductors and insulators, the Fr\"ohlich interaction between electrons and long-wavelength longitudinal optical phonons induces a many-body renormalization of the carrier effective masses and the appearence of characteristic…

Materials Science · Physics 2022-03-10 Nikolaus Kandolf , Carla Verdi , Feliciano Giustino

We develop a method for calculating the electron-phonon vertex in polar semiconductors and insulators from first principles. The present formalism generalizes the Fr\"ohlich vertex to the case of anisotropic materials and multiple phonon…

Materials Science · Physics 2015-10-22 Carla Verdi , Feliciano Giustino

We present a new first-principles linear-response theory of changes due to perturbations in the quasiparticle self-energy operator within the $GW$ method. This approach, named $GW$ perturbation theory ($GW$PT), is applied to calculate the…

Materials Science · Physics 2019-05-15 Zhenglu Li , Gabriel Antonius , Meng Wu , Felipe H. da Jornada , Steven G. Louie

The calculation of electron-phonon (e-ph) coupling from first principles is a topic of great interest in materials science, offering a robust, non-empirical framework to understand and predict a wide range of physical phenomena. While…

Materials Science · Physics 2025-03-17 Savio Laricchia , Casey Eichstaedt , Dimitar Pashov , Mark van Schilfgaarde

The electron-phonon interaction plays a crucial role in many fields of physics and chemistry. Nevertheless, its actual calculation by means of modern many-body perturbation theory is weakened by the use of model Hamiltonians that are based…

Materials Science · Physics 2015-05-15 Andrea Marini , Samuel Poncé , Xavier Gonze

To gain insight into the peculiar temperature dependence of the thermoelectric material SnSe, we employ many-body perturbation theory and explore the influence of the electron-phonon interaction on its electronic and transport properties.…

Materials Science · Physics 2019-05-23 Fabio Caruso , Maria Troppenz , Santiago Rigamonti , Claudia Draxl

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…

In this article in the framework of generalized Frolich model we consider electron-spin-phonon system. A parameter of electron-spin-phonon interaction is found. It is shown its interrelation with experiments on isotope-effect on high…

Superconductivity · Physics 2007-05-23 L. Joukovskaya

We present a theoretical framework to describe polarons from first principles within a many-body Green's function formalism. Starting from a general electron-phonon Hamiltonian, we derive a self-consistent Dyson equation in which the…

Dynamical mean-field theory computations of the electron self energy of the Hubbard-Holstein model as a function of electron-phonon and electron-electron interactions are analyzed to gain insight into the dependence of electron-phonon…

Strongly Correlated Electrons · Physics 2025-05-14 Jennifer Coulter , Andrew J. Millis

We investigate two equivalent capacitively and tunnel coupled quantum dots, each coupled to its own pair of leads. Local Holstein type electron-phonon coupling at the dots is assumed. To study many-body effects we use the finite-U…

Mesoscale and Nanoscale Physics · Physics 2023-11-20 D. Krychowski , S. Lipiński

The Frohlich interaction is one of the main electron-phonon intrinsic interactions in polar materials originating from the coupling of one itinerant electron with the macroscopic electric field generated by any longitudinal optical (LO)…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 C. Faugeras , G. Martinez , A. Riedel , R. Hey , K-J Friedland , Y. Bychkov

We perform ab initio calculations of the coupling between electrons and small-momentum polar-optical phonons in monolayer transition metal dichalcogenides of the 2H type: MoS2, MoSe2, MoTe2, WS2, and WSe2. The so-called Fr\"ohlich…

Materials Science · Physics 2016-11-07 Thibault Sohier , Matteo Calandra , Francesco Mauri

Strong electron-electron interactions are known to significantly modify the electron-phonon coupling relative to the predictions of density functional theory, but this effect is challenging to calculate with realistic theories of strongly…

Strongly Correlated Electrons · Physics 2025-07-21 David J. Abramovitch , Jennifer Coulter , Sophie Beck , Andrew Millis

The polaron features due to electron-phonon interactions with different coupling ranges are investigated by adopting a variational approach. The ground-state energy, the spectral weight, the average kinetic energy, the mean number of…

Strongly Correlated Electrons · Physics 2007-05-23 C. A. Perroni , V. Cataudella , G. De Filippis , V. Marigliano Ramaglia

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…

Materials Science · Physics 2022-06-09 Vasilii Vasilchenko , Andriy Zhugayevych , Xavier Gonze

We include the treatment of quadrupolar fields beyond the Fr\"ohlich interaction in the first-principles electron-phonon vertex in semiconductors. Such quadrupolar fields induce long-range interactions that have to be taken into account for…

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
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