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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…

Materials Science · Physics 2024-02-14 Jie Peng , W. Ryan Deskins , Maria Helena Braga , Anter El-Azab

Higher order terms of the transformed electron-phonon Hamiltonian, obtained by performing the Frohlich's transformation, are investigated. The influence of terms discarded by Frohlich (in particular those proportional to the third power of…

Superconductivity · Physics 2009-11-11 Przemyslaw Tarasewicz , Dominik Baran

Unusual optoelectronic properties of diamondoids produce some discrepancies between experiments and the outstanding many-body calculation outputs. Therefore, many theoretical efforts are attracted to resolve these inconsistencies. Here…

Materials Science · Physics 2016-08-09 Farah Marsusi , Mohammad Hassan Khodabandeh

Recent angle-resolved photoemission spectroscopy (ARPES) has identified that a finite-range Fr\"ohlich electron-phonon interaction (EPI) with c-axis polarized optical phonons is important in cuprate superconductors, in agreement with an…

Superconductivity · Physics 2007-06-13 J. P. Hague , P. E. Kornilovitch , J. H. Samson , A. S. Alexandrov

Including the effect of lattice anharmonicity on electron-phonon interactions has recently garnered attention due to its role as a necessary and significant component in explaining various phenomena, including superconductivity, optical…

When an electron-hole pair is optically excited in a semiconductor quantum dot the host crystal lattice needs to adapt to the presence of the generated charge distribution. Therefore the coupled exciton-phonon system has to establish a new…

The formation of a polaron quasiparticle from a bare electron is studied in the framework of the Holstein model of electron-phonon coupling. Using Schr\"{o}dinger's formalism, we calculate the time evolution of the distribution of the…

Strongly Correlated Electrons · Physics 2007-05-23 Li-Chung Ku , S. A. Trugman

An emerging application of resonant inelastic x-ray scattering (RIXS) is the study of lattice excitations and electron-phonon ($e$-ph) interactions in quantum materials. Despite the growing importance of this area of research, the community…

Strongly Correlated Electrons · Physics 2025-06-30 Jinu Thomas , Debshikha Banerjee , Alberto Nocera , Steven Johnston

Using a first-principles approach we calculate the acoustic electron-phonon couplings in graphene for the transverse (TA) and longitudinal (LA) acoustic phonons. Analytic forms of the coupling matrix elements valid in the long-wavelength…

Materials Science · Physics 2013-11-22 Kristen Kaasbjerg , Kristian S. Thygesen , Karsten W. Jacobsen

Using a combination of first-principles and magnetization-dynamics calculations, we study the effect of the intense optical excitation of phonons on the magnetic behavior in insulating magnetic materials. Taking the prototypical…

Strongly Correlated Electrons · Physics 2018-06-13 M. Fechner , A. Sukhov , L. Chotorlishvili , C. Kenel , J. Berakdar , N. A. Spaldin

We study the interplay between the electron-electron (e-e) and the electron-phonon (e-ph) interactions in the two-orbital Hubbard-Holstein model at half filling using the dynamical mean field theory. We find that the e-ph interaction, even…

Strongly Correlated Electrons · Physics 2017-04-05 Shaozhi Li , Ehsan Khatami , Steven Johnston

A series expansion of the interaction between a nucleus and its surrounding electron distribution provides terms that are well-known in the study of hyperfine interactions: the familiar quadrupole interaction and the less familiar…

Atomic and Molecular Clusters · Physics 2015-05-14 Katrin Koch , Klaus Koepernik , Dimitri Van Neck , Helge Rosner , Stefaan Cottenier

The design of novel cathode materials for Li-ion batteries would greatly benefit from accurate first-principles predictions of structural, electronic, and magnetic properties as well as intercalation voltages in compounds containing…

Materials Science · Physics 2022-11-03 Iurii Timrov , Francesco Aquilante , Matteo Cococcioni , Nicola Marzari

The quantum acoustic framework has recently emerged as a non-perturbative, coherent approach to electron-lattice interactions, uncovering rich physics often obscured by perturbative methods with incoherent scattering events. Here, we model…

A detailed understanding of strong matter-photon interactions requires first-principle methods that can solve the fundamental Pauli-Fierz Hamiltonian of non-relativistic quantum electrodynamics efficiently. A possible way to extend…

Interference effects in effective field theory (EFT) analyses can significantly distort sensitivity expectations, leaving subtle yet distinct signatures in the reconstruction of final states crucial for limit setting around Standard Model…

High Energy Physics - Phenomenology · Physics 2025-03-26 Felix Egle , Christoph Englert , Margarete Mühlleitner , Michael Spannowsky

We present an expression for the operator of the electric quadrupole hyperfine interaction which takes into account finite nuclear size. We compare the results obtained with the use of this operator with those obtained in the standard…

Atomic Physics · Physics 2023-05-03 V. A. Dzuba , V. V. Flambaum

Exciton-polaritons are light-matter hybrid quasi-particles that have emerged as a flexible platform for developing quantum technologies and engineering material properties. However, the fundamental mechanistic principles that govern their…

A first principles analysis of order-disorder transition in alloys shows that ordering energy is a function of temperature due to thermal vibrations. The inter-nuclear potential energy term converges if zero point vibrations are…

Materials Science · Physics 2008-12-02 T. R. S. Prasanna

The ordering of magnetic or electric dipoles leading to real-space topological structures is at the forefront of materials research as their quantum mechanical nature often lends itself to emergent properties. Atomic lattice vibrations…