Ab initio determination of effective electron-phonon coupling factor in copper

Abstract

The electron temperature dependent electron density of states, Fermi-Dirac distribution, and electron-phonon spectral function are computed as prerequisites before achieving effective electron-phonon coupling factor. The obtained coupling factor 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 result utilizing coupling factor from ab initio calculation, shows a faster decrease of electron temperature and increase of lattice temperature than those using coupling factor from phenomenological treatment. The approach of calculating coupling factor and its implementation into MD-TTM simulation is applicable to other metals.

References in corpus (4)

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• Ab initio model of optical properties of two-temperature warm dense matter
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Cited by in corpus (6)

• First-Principles Determination of Electron-Ion Couplings in the Warm Dense Matter Regime
• Melting and thermal ablation of a silver film induced by femtosecond laser heating: A multiscale modeling approach
• Theory of the electron-ion temperature relaxation rate spanning the hot solid metals and plasma phases
• Energy relaxation and electron-phonon coupling in laser-excited metals
• Multiscale modeling of femtosecond laser irradiation on copper film with electron thermal conductivity from ab initio calculation
• Enhanced superconductivity in atomically thin noble metals: From quantum confinement to interface-induced Lifshitz transition