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We have developed a first-principles method to calculate the electron-phonon coupling for specific modes and q-points in the Brillouin Zone for crystalline organic semiconductors. Using the obtained coupling strengths, we propose an…

Spin-phonon interactions in 2D magnetic materials are crucial in advancing next-generation spintronic devices. Therefore, identifying new materials with significant spin-phonon interactions is of great importance. In this context, MnSe,…

Materials Science · Physics 2025-02-27 Suman Kalyan Pradhan , Arnab Bera , Soham Das , Yongli Yu , Jicheng Wang , Rui Wu

Interactions between electrons and lattice vibrations are responsible for a wide range of material properties and applications. Recently, there has been considerable interest in the development of resonant inelastic x-ray scattering (RIXS)…

In $d$-electron systems, there can also be intricate interplay between Kondo coupling and magnetic interactions as that in $f$-electron systems, but the underlying mechanism remains elusive. Here, using inelastic neutron scattering, we…

Topological semimetals have revealed a wide array of novel transport phenomena, including electron hydrodynamics, quantum field theoretic anomalies, and extreme magnetoresistances and mobilities. However, the scattering mechanisms central…

An interacting electron-phonon system is considered within the Extended Holstein model at strong coupling regime and nonadiabatic approximation. It is assumed that screening of an electron-phonon interaction is due to the excess electrons…

Strongly Correlated Electrons · Physics 2013-08-13 B. Ya. Yavidov

We present an \emph{ab-initio} study that identifies the main electron-phonon scattering channels in $n$-type PbTe. We develop an electronic transport model based on the Boltzmann transport equation within the transport relaxation time…

Mesoscale and Nanoscale Physics · Physics 2018-11-14 Jiang Cao , Jose D. Querales-Flores , Aoife R. Murphy , Stephen Fahy , Ivana Savić

The physics of ferromagnetic doped manganites, such as \chem{La_{1-x}Ca_xMnO_3} with $x\approx0.2$--0.4, is reviewed. The concept of double exchange is discussed within the general framework of itinerant electron magnetism. The new feature…

Strongly Correlated Electrons · Physics 2015-06-24 D. M. Edwards

We show that the electron-phonon coupling (EPC) in many materials can be significantly underestimated by the standard density functional theory (DFT) in the local density approximation (LDA) due to large non-local correlation effects. We…

Superconductivity · Physics 2013-10-02 Z. P. Yin , A. Kutepov , G. Kotliar

We present a simple and efficient approximation to the electron-phonon scattering rate suitable for high-throughput screening of candidate materials for thermoelectric devices, based on electronic transport. The method is applied to…

Materials Science · Physics 2015-11-30 Georgy Samsonidze , Boris Kozinsky

We use determinant quantum Monte Carlo to study the single particle properties of quasiparticles and phonons in a variant of the two-dimensional Holstein model that includes an additional non-linear electron-phonon (e-ph) interaction. We…

Superconductivity · Physics 2015-08-12 Shaozhi Li , E. A. Nowadnick , S. Johnston

We report first principles analysis of electron-phonon coupling in molecular devices under external bias voltage and during current flow. Our theory and computational framework are based carrying out density functional theory within the…

Materials Science · Physics 2009-11-11 N. Sergueev , D. Roubtsov , Hong Guo

We use polarized magneto-Raman scattering to study purely electronic excitations and the electron-phonon coupling in bulk graphite. At a temperature of 4.2 K and in magnetic fields up to 28 T we observe $K$-point electronic excitations…

Mesoscale and Nanoscale Physics · Physics 2015-05-30 P. Kossacki , C. Faugeras , M. Kühne , M. Orlita , A. A. L. Nicolet , J. M. Schneider , D. M. Basko , Y. I. Latyshev , M. Potemski

The electron-phonon coupling strength in the spin-split valence band maximum of single-layer MoS$_2$ is studied using angle-resolved photoemission spectroscopy and density functional theory-based calculations. Values of the electron-phonon…

Photo-induced phase transitions have been intensively studied owing to the ability to control a material of interest in the ultrafast manner, which can induce exotic phases unable to be attained at equilibrium. However, the key mechanisms…

We consider the effect of electron-phonon coupling in semimetals in high magnetic fields, with regard to elastic modes that can lead to a redistribution of carriers between pockets. We show that in a clean three dimensional system, at each…

Materials Science · Physics 2015-05-14 P. B. Littlewood , B. Mihaila , R. C. Albers

Electron-phonon coupling often dominates the electron spectral functions and carrier transport properties. However, studies of this effect in real materials have largely relied on perturbative one-shot methods due to the lack of a…

Materials Science · Physics 2025-05-13 Jae-Mo Lihm , Samuel Poncé

The simultaneous influence of electronic correlations and magnetic ordering on the theoretical estimation of phonons and related properties of Ni is investigated. The work includes a comparative DFT and DFT+U study, where on-site Coulomb…

Strongly Correlated Electrons · Physics 2023-07-13 Shivani Bhardwaj , Sudhir K. Pandey

We use the renormalization group method to examine the effect of phonon mediated interaction on d-wave superconductivity, as driven by spin fluctuations in a quasi-one-dimensional electron system. The influence of a tight-binding…

Strongly Correlated Electrons · Physics 2014-09-15 Hassan Bakrim , Claude Bourbonnais

The intertwining between spin, charge, and lattice degrees of freedom can give rise to unusual macroscopic quantum states, including high-temperature superconductivity and quantum anomalous Hall effects. Recently, a charge density wave…

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