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We present a first principles investigation of the lattice dynamics and electron-phonon coupling of the superconductor MgB_2 and the isostructural AlB_2 within the framework of density functional perturbation theory using a mixed-basis…

Superconductivity · Physics 2009-11-07 K. -P. Bohnen , R. Heid , B. Renker

We calculate the low temperature properties of an acoustic polaron in three dimensions in thermal equilibrium at a given temperature using a specialized path integral Monte Carlo method. In particular we find numerical evidence that the…

Materials Science · Physics 2012-11-20 Riccardo Fantoni

Non-diffusive, fluid-like transport of charge and heat has been observed in several materials, raising the question of whether they can emerge simultaneously and how they are related to bi-component electron-phonon fluids. Here we introduce…

Mesoscale and Nanoscale Physics · Physics 2026-03-23 Jennifer Coulter , Bogdan Rajkov , Michele Simoncelli

The time dynamics of the energy flow from electronic to lattice degrees of freedom in pump-probe setups could be strongly affected by the presence of a hot-phonon bottleneck, which can sustain longer coherence of the optically excited…

Materials Science · Physics 2022-05-25 E. Cappelluti , D. Novko

We show that thermal effects play a relevant role in the determination of the electron-phonon couplings based on the intensity of the phonon-shakeup peaks in photoemission spectra. In particular, we re-consider the determination of the…

Materials Science · Physics 2007-05-23 Andrea Bordoni , Nicola Manini

This article reviews the theory of electron-phonon interactions in solids from the point of view of ab-initio calculations. While the electron-phonon interaction has been studied for almost a century, predictive non-empirical calculations…

Materials Science · Physics 2017-03-08 Feliciano Giustino

Electron-phonon coupling (EPC) is foundational in condensed matter physics, determining intriguing phenomena and properties in both conventional and quantum materials. In this manuscript, we propose and demonstrate a novel two dimensional…

Materials Science · Physics 2025-04-09 Sheng Qu , Vishal K. Sharma , Jaco Geuchies , Maksim Grechko , Mischa Bonn , Falko Pientka , Heejae Kim

The measured magnetization dynamics of ferromagnetic iron--cobalt Fe$_{1-x}$Co$_x$ alloys show a strong dependence on the alloy composition, especially near $x=0.25$. Here, we calculate from first principles the electron-phonon coupling…

Materials Science · Physics 2024-10-21 Kevin Moseni , Richard B Wilson , Sinisa Coh

The electron and phonon temperature distribution function are calculated in semiconductors. We solved the coupled one-dimensional heat-diffussion equations in the linear approximation in which the physical parameters on the sample are…

Condensed Matter · Physics 2009-10-28 G. Gonzalez de la Cruz , Yu. G. Gurevich

Temperature-dependent Raman spectra of TbMnO$_3$ from 5 K to 300 K in the spectral range of 200 to 1525 cm$^{-1}$ show five first-order Raman allowed modes and two high frequency modes. The intensity ratio of the high frequency Raman band…

Strongly Correlated Electrons · Physics 2010-04-12 Pradeep Kumar , Surajit Saha , D. V. S. Muthu , J. R. Sahu , A. K. Sood , C. N. R. Rao

The theory of the interaction of electrons with acoustic phonons in multilayer nitride-based AlN/GaN nanostructures was developed for the first time at $T\geqslant 0$ using the method of finite-temperature Green's functions and Dyson…

Mesoscale and Nanoscale Physics · Physics 2021-01-20 I. V. Boyko , M. R. Petryk

An ab initio method for calculating electron-phonon coupling parameters is presented. The method is an extension of the plane-wave-based linear-response method for the calculation of lattice dynamics. Results for the mass enhancement…

mtrl-th · Physics 2009-10-28 Amy Y. Liu , Andrew A. Quong

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…

The probing of coherent lattice vibrations in solids has been conventionally carried out using time-resolved transient spectroscopy where only the relative oscillation amplitude can be obtained. Using time-resolved X-ray techniques,…

Mesoscale and Nanoscale Physics · Physics 2024-03-25 Jicai Zhang , Ziwen Wang , Frank Lengers , Daniel Wigger , Doris E. Reiter , Tilmann Kuhn , Hans Jakob Wörner , Tran Trung Luu

Despite their fundamental role in determining material properties, detailed momentum-dependent information on the strength of electron-phonon and phonon-phonon coupling (EPC and PPC, respectively) across the entire Brillouin zone (BZ) has…

The lattice dynamics of the $\rm YMnO_3$ magneto-electric compound has been investigated using density functional calculations, both in the ferroelectric and the paraelectric phases. The coherence between the computed and experimental data…

Materials Science · Physics 2012-03-09 Julien Varignon , Sébastien Petit , Marie-Bernadette Lepetit

Predicting charge transport in organic molecular crystals is notoriously challenging. Carrier mobility calculations in organic semiconductors are dominated by quantum chemistry methods based on charge hopping, which are laborious and only…

Materials Science · Physics 2018-03-21 Nien-En Lee , Jin-Jian Zhou , Luis A. Agapito , Marco Bernardi

By applying Wannier-based extended Kugel-Khomskii model, we carry out first-principles calculations and electronic structure analysis to understand the spin-phonon coupling effect in transition-metal perovskites. We demonstrate the…

Materials Science · Physics 2017-08-17 Hongwei Wang , Lixin He , Hong Jiang , Cameron Steele , Xifan Wu

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

We report high-resolution inelastic x-ray measurements of the soft phonon mode in the charge-density-wave compound TiSe$_2$. We observe a complete softening of a transverse optic phonon at the L point, i.e. q = (0.5, 0, 0.5), at T ~…

Strongly Correlated Electrons · Physics 2015-05-28 F. Weber , S. Rosenkranz , J. -P. Castellan , R. Osborn , G. Karapetrov , R. Hott , R. Heid , K. -P. Bohnen , A. Alatas
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