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O: Fachverband Oberflächenphysik
O 19: 2D Materials II: Electronic Structure, Excitations, etc. (joint session O/CPP/HL)
O 19.8: Vortrag
Montag, 16. März 2020, 17:00–17:15, WIL C107
Ab-initio structural dynamics of laser-excited graphene — •Sergej Krylow1, Felipe Valencia Hernandez2, Bernd Bauerhenne1, and Martin E. Garcia1 — 1University of Kassel, 34132 Kassel, Germany — 2National University of Colombia, 111321 Bogota, Colombia
We calculate the response of graphene to an ultrafast laser pulse using ab initio density functional molecular dynamics simulations. Our results show a biexponential decay of the Bragg peak intenities of the (100) and (110) peaks. We are able to show that the fast decay is caused by the equilibration between the electrons and a few strongly coupled optical phonons (SCOPs). The slower decay can be attributed to the equilibration of the SCOPs to the other phonon modes. Furthermore, we analyze the decay pathways from the SCOPs to the other phonon modes.