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

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. The calculation concentrates on electron heat capacity and electron–phonon coupling factor, which are two pivotal parameters describing the femtosecond laser-induced electron heating and the electron–phonon coupled energy transportation. The evolutions of these two parameters with increasing electron temperature are presented. It is found that the evolutions of the electron heat capacity and electron–phonon coupling factor are mainly affected by the electron density of states and the Fermi-Dirac distribution function.

Recommended citation: Yongnan, Li., Pengfei, Ji. (2022). "Ab initio calculation of electron temperature dependent electron heat capacity and electron-phonon coupling factor of noble metals." Computational Materials Science. 202, 110959.
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