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

作者：Ji Pengfei; Zhang Yuwen^*

来源：Physics Letters, Section A: General, Atomic and Solid State Physics , 2016, 380(17): 1551-1555.

DOI：10.1016/j.physleta.2016.02.044

• Electron-phonon interaction
• Femtosecond laser
• Thin film
• Spectral function

The electron temperature T-e dependent electron density of states g(epsilon), Fermi-Dirac distribution f(epsilon), and electron-phonon spectral function alpha F-2(Omega) 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 result utilizing G(e-ph) from ab initio calculation shows a faster decrease of T-e and increase of T-l than those using G(e-ph) from phenomenological treatment. The approach of calculating G(e-ph) and its implementation into MD-TIM simulation is applicable to other metals.

• 出版日期2016-4-8