Ab initio determination of effective electronphonon coupling factor in copper
Abstract
The electron temperature T_{e} dependent electron density of states g (ɛ), FermiDirac distribution f (ɛ), and electronphonon spectral function α^{2} F (Ω) are computed as prerequisites before achieving effective electronphonon coupling factor G_{eph}. The obtained G_{eph} is implemented into a molecular dynamics (MD) and twotemperature model (TTM) coupled simulation of femtosecond laser heating. By monitoring temperature evolutions of electron and lattice subsystems, the result utilizing G_{eph} from ab initio calculation shows a faster decrease of T_{e} and increase of T_{l} than those using G_{eph} from phenomenological treatment. The approach of calculating G_{eph} and its implementation into MDTTM simulation is applicable to other metals.
 Publication:

Physics Letters A
 Pub Date:
 April 2016
 DOI:
 10.1016/j.physleta.2016.02.044
 arXiv:
 arXiv:1602.09031
 Bibcode:
 2016PhLA..380.1551J
 Keywords:

 Electronphonon interaction;
 Femtosecond laser;
 Thin film;
 Spectral function;
 Physics  Computational Physics;
 Condensed Matter  Materials Science
 EPrint:
 doi:10.1016/j.physleta.2016.02.044