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A nonperturbative dynamical coupling approach based on tight-binding molecular dynamics is used to evaluate the electron-ion (electron-phonon) coupling parameter in irradiated semiconductors as a function of the electronic temperature up to…

Materials Science · Physics 2023-10-25 Nikita Medvedev

The rate of energy transfer between electrons and phonons is investigated by a first principles framework for electron temperatures up to $T_e=50000$ K while considering the lattice at ground state. Two typical but differently complex…

Other Condensed Matter · Physics 2022-03-08 Jia Zhang , Rui Qin , Wenjun Zhu , Jan Vorberger

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

We recently developed an approach for calculation of the electron-phonon (electron-ion in a more general case) coupling in materials based on tight-binding molecular dynamics simulations. In the present work we utilize this approach to…

Materials Science · Physics 2023-02-17 Nikita Medvedev , Igor Milov

Understanding of the energy exchange between electrons and phonons in metals is important for micro- and nano-manufacturing and system design. The electron-phonon (e-ph) coupling constant is to describe such exchange strength, yet its…

Mesoscale and Nanoscale Physics · Physics 2021-03-17 Wuli Miao , Moran Wang

In the present work, a theoretical study of electron-phonon (electron-ion) coupling rates in semiconductors driven out of equilibrium is performed. Transient change of optical coefficients reflects the band gap shrinkage in covalently…

Materials Science · Physics 2017-02-22 Nikita Medvedev , Zheng Li , Victor Tkachenko , Beata Ziaja

Coupling between electrons and phonons (lattice vibrations) drives the formation of the electron pairs responsible for conventional superconductivity. The lack of direct evidence for electron-phonon coupling in the electron dynamics of the…

The electron-phonon coupling in ultrafast heating systems is studied within the framework of Boltzmann transport equation (BTE) with coupled electron and phonon transport. A discrete unified gas kinetic scheme is developed to solve the BTE,…

Mesoscale and Nanoscale Physics · Physics 2023-08-25 Chuang Zhang , Rulei Guo , Meng Lian , Junichiro Shiomi

The electron-phonon coupling and the corresponding energy exchange was investigated experimentally and by ab initio theory in non-equilibrium states of the free-electron metal aluminium. The temporal evolution of the atomic mean squared…

Materials Science · Physics 2016-04-11 Lutz Waldecker , Roman Bertoni , Jan Vorberger , Ralph Ernstorfer

Electron-phonon coupling is a fundamental process that governs the energy relaxation dynamics of solids excited by ultrafast laser pulses. It has been found to strongly depend on electron temperature as well as on nonequilibrium effects.…

Materials Science · Physics 2023-08-03 Tobias Held , Sebastian T. Weber , Baerbel Rethfeld

Ultrafast laser measurements probe the non-equilibrium dynamics of excited electrons in metals with increasing temporal resolution. Electronic structure calculations can provide a detailed microscopic understanding of hot electron dynamics,…

Computational Physics · Physics 2016-08-12 Ana M. Brown , Ravishankar Sundararaman , Prineha Narang , William A. Goddard , Harry A. Atwater

Electron-phonon coupling (EPC) governs lattice dynamics, charge transport, and collective electronic phases in quantum materials. In several families of unconventional superconductors, including transition-metal dichalcogenides and kagome…

A simple bulk model of electron-phonon coupling in metals has been surprisingly successful in explaining experiments on metal films that actually involve surface- or other low-dimensional phonons. However, by an exact application of this…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 S. -X. Qu , A. N. Cleland , M. R. Geller

The electronic structure, lattice dynamics, and electron-phonon coupling of the boron-doped diamond are investigated using the density functional supercell method. Our results indicate the boron-doped diamond is a phonon mediated…

Superconductivity · Physics 2007-05-23 H. J. Xiang , Zhenyu Li , Jinlong Yang , J. G. Hou , Qingshi Zhu

Electron-phonon coupling (EPC) is key for understanding many properties of materials such as superconductivity and electric resistivity. Although first principles density-functional-theory (DFT) based EPC calculations are used widely, their…

Electron-ion interactions play a central role for the energy relaxation processes and ultra-fast structure dynamics in laser-heated matter. The accurate prediction of the electron-ion energy exchange in a transient excited two-temperature…

Other Condensed Matter · Physics 2024-01-17 Jia Zhang , Rui Qin , Wenjun Zhu , Jan Vorberger

The large variations of T$_c$ across the cuprate families is one of the major unsolved puzzles in condensed matter physics, and is poorly understood. Although there appears to be a great deal of universality in the cuprates, several orders…

Superconductivity · Physics 2010-08-23 S. Johnston , F. Vernay , B. Moritz , Z. -X. Shen , N. Nagaosa , J. Zaanen , T. P. Devereaux

We present a theory for the rate of energy exchange between electrons and ions -- also known as the electron-ion coupling factor -- in physical systems ranging from hot solid metals to plasmas, including liquid metals and warm dense matter.…

Plasma Physics · Physics 2019-10-16 Jerome Daligault , Jacopo Simoni

The femtosecond optical pump-probe technique was used to study dynamics of photoexcited electrons and coherent optical phonons in transition metals Zn and Cd as a function of temperature and excitation level. The optical response in time…

Strongly Correlated Electrons · Physics 2009-11-11 Muneaki Hase , Kunie Ishioka , Jure Demsar , Kiminori Ushida , Masahiro Kitajima

In this paper, we investigate the electronic band structure, lattice dynamics and electron-phonon interaction in $\delta$-NbN, $\varepsilon$-NbN and WC-NbN by performing systematic ab initio calculations based on DFT-GGA. The calculated…

Superconductivity · Physics 2019-03-27 K. Ramesh Babu , Guang-Yu Guo
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