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O: Fachverband Oberflächenphysik

O 3: Ultrafast Electron and spin dynamics at interfaces I

O 3.2: Vortrag

Montag, 12. März 2018, 10:45–11:00, MA 005

Time-evolution of optical excitations in Fe/MgO(001) heterostructures from RT-TDDFT — •Markus Ernst Gruner, Okan Köksal, and Rossitza Pentcheva — Faculty of Physics and Center for Nanointegration, CENIDE, University of Duisburg-Essen

We investigate the real-time (RT) evolution of an optical excitation in a (Fe)_n/(MgO)_m(001) multilayer system in the framework of time-dependent density functional theory (TDDFT). The calculations are carried out with the ELK code using the adiabatic local spin density approximation for exchange and correlation. Starting with a minimum model consisting of a single Fe layer and 3 MgO layers, we vary systematically frequency and fluence of the laser pulse and analyse the time dependent propagation of excitations in terms of the variation of the charge density and electronic density of states, which gives insight into the evolution of orbital polarisation. Apart from laser frequency and intensity, we find that also the polarization of light significantly influences the magnitude and propagation of the excitations. First trends for larger systems are discussed.
Financial support from the DFG within SFB 1242 (project C02) is gratefully acknowledged.