# Ab initio determination of effective electron–phonon coupling factor in copper

@article{Ji2016AbID, title={Ab initio determination of effective electron–phonon coupling factor in copper}, author={Pengfei Ji and Yuwen Zhang}, journal={Physics Letters A}, year={2016}, volume={380}, pages={1551-1555} }

Abstract The electron temperature T e dependent electron density of states g ( e ) , Fermi–Dirac distribution f ( e ) , and electron–phonon spectral function α 2 F ( Ω ) are computed as prerequisites before achieving effective electron–phonon coupling factor G e – ph . The obtained G e – ph is implemented into a molecular dynamics (MD) and two-temperature model (TTM) coupled simulation of femtosecond laser heating. By monitoring temperature evolutions of electron and lattice subsystems, the…

## 14 Citations

Ab initio calculation of electron temperature dependent electron heat capacity and electron-phonon coupling factor of noble metals

- Materials Science
- 2022

Abstract Noble metal nanoparticles show fantastic catalytic property in various practical applications. It is a promising way to obtain nanoparticles from femtosecond laser ablation of noble metals.…

Vacancy-induced enhancement of electron–phonon coupling in cubic silicon carbide and its relationship to the two-temperature model

- Materials ScienceJournal of Applied Physics
- 2021

The electron–phonon coupling factor was calculated for both pristine and vacancy-rich 3C-SiC. Ab initio calculations were performed within the framework of the density functional perturbation theory.…

Electron-Phonon Coupled Heat Transfer and Thermal Response Induced by Femtosecond Laser Heating of Gold

- Materials Science
- 2017

Ab initio simulation is one of the most effective theoretical tools to study the electrons evolved heat transfer process. Here, we report the use of finite-temperature density functional theory (DFT)…

Multiscale modeling of femtosecond laser irradiation on a copper film with electron thermal conductivity from ab initio calculation

- Materials Science, Physics
- 2017

ABSTRACT By combining the ab initio quantum mechanics (QM) calculation and the Drude model, electron temperature- and lattice temperature-dependent electron thermal conductivity is calculated and…

First-Principles Determination of Electron-Ion Couplings in the Warm Dense Matter Regime.

- Medicine, PhysicsPhysical review letters
- 2019

A Kubo relation for the electron-ion coupling parameter is introduced, which includes self-consistently the quantum, thermal, nonlinear, and strong coupling effects that coexist in materials at the confluence of solids and plasmas.

Melting and thermal ablation of a silver film induced by femtosecond laser heating: a multiscale modeling approach

- Materials Science, Physics
- 2017

The femtosecond laser pulse heating of silver film is investigated by performing quantum mechanics (QM), molecular dynamics (MD), and two-temperature model (TTM) integrated multiscale simulation. The…

Theory of the electron-ion temperature relaxation rate spanning the hot solid metals and plasma phases.

- Physics, MedicinePhysical review. E
- 2019

The electron-ion coupling is particularly well adapted to average atom models, which offer an effective way to include nonideal interaction effects to the standard models and at a much reduced computational cost in comparison to first-principles quantum molecular dynamics simulations.

A Multiscale Study of Film Thickness Dependent Femtosecond Laser Spallation and Ablation

- Materials Science, Physics
- 2017

A multiscale studying integrating ab initio quantum mechanics, classical molecular dynamics and two-temperature model, is carried out to study film thickness dependent femtosecond laser spallation…

Phonon transport across nano-scale curved thin films

- Materials Science
- 2016

Abstract Phonon transport across the curve thin silicon film due to temperature disturbance at film edges is examined. The equation for radiative transport is considered via incorporating Boltzmann…

Multiscale Investigation of Femtosecond Laser Pulses Processing Aluminum in Burst Mode

- Materials ScienceNanoscale and Microscale Thermophysical Engineering
- 2018

ABSTRACT Megahertz is the highest femtosecond laser repetition rate that the state-of-the art technology can achieve. In this article, a single femtosecond laser pulse is burst into multiple…

## References

SHOWING 1-10 OF 30 REFERENCES

Electron cooling and debye-waller effect in photoexcited bismuth.

- Physics, MedicinePhysical review letters
- 2013

The effect of the electron temperature on the Debye-Waller factors through the softening of all optical modes across the whole Brillouin zone turns out to be crucial to reproduce the time evolution of these Bragg peak intensities.

Electron-phonon coupling and electron heat capacity of metals under conditions of strong electron-phonon nonequilibrium

- Materials Science
- 2008

The dependence of the strength of the electron-phonon coupling and the electron heat capacity on the electron temperature is investigated for eight representative metals, Al, Cu, Ag, Au, Ni, Pt, W,…

The role of electron–phonon coupling in ultrafast laser heating

- Materials Science
- 2005

Most of the ultrafast laser heating analysis to date has been accomplished with a constant electron–phonon coupling factor (G). Due to the significant changes in the electron and lattice temperature…

Ab Initio Nonequilibrium Thermodynamic and Transport Properties of Ultrafast Laser Irradiated 316L Stainless Steel

- Materials Science
- 2015

We present calculations of transient behavior of thermodynamic and transport coefficients on the time scale of electron–phonon relaxation upon ultrashort laser excitation of ferrous alloys. Their…

Femtosecond room-temperature measurement of the electron-phonon coupling constant gamma in metallic superconductors.

- Physics, MedicinePhysical review letters
- 1990

We report the first systematic femtosecond pump-probe measurements of the electron-phonon coupling constant {lambda} in thin films of Cu, Au, Cr, Ti, W, Nb, V, Pb, NbN, and V{sub 3}Ga. The agreement…

Ab initiomodel of optical properties of two-temperature warm dense matter

- Physics
- 2014

We present a model to describe thermophysical and optical properties of two-temperature systems consisted of heated electrons and cold ions in a solid lattice that occur during ultrafast heating…

Femtosecond laser ablation of aluminium

- Materials Science
- 2009

Abstract We investigate femtosecond laser ablation of aluminium using a hybrid simulation scheme. Two equations are solved simultaneously: one for the electronic system, which accounts for laser…

Time-resolved electron-temperature measurement in a highly excited gold target using femtosecond thermionic emission.

- Materials Science, MedicinePhysical review. B, Condensed matter
- 1994

We report direct measurement of hot-electron temperatures and relaxation dynamics for peak electron temperatures between 3400 and 11000 K utilizing two-pulse-correlation femtosecond (fs) thermionic…

Free electron properties of metals under ultrafast laser-induced electron-phonon nonequilibrium: a first-principles study

- Materials Science, Physics
- 2014

The dynamics of laser-excited materials is an area of intense research as diagnostics of laser-matter experiments can be discussed by back-tracking the transient properties of the irradiated…

Electron-phonon interactions and related physical properties of metals from linear-response theory.

- Physics, MedicinePhysical review. B, Condensed matter
- 1996

The method provides the description of electron-phonon interactions in tested materials with an accuracy of 10% andValues of temperature-dependent electrical and thermal resistivities as well as transport constants agree well with the experimental data.