caa a22 4500 463211294 CHVBK 20180405153141.0 cr unu---uuuuu 170326e20070801xx s 000 0 eng 10.1007/s00339-007-4043-4 doi (NATIONALLICENCE)springer-10.1007/s00339-007-4043-4 Theory of optical excitation and relaxation phenomena at semiconductor surfaces: linking density functional and density matrix theory [Elektronische Daten] [N. Buecking, M. Scheffler, P. Kratzer, A. Knorr] A theory for the description of optical excitation and the subsequent phonon-induced relaxation dynamics of nonequilibrium electrons at semiconductor surfaces is presented. In the first part, the fundamental dynamical equations for electronic occupations and polarisations are derived using density matrix formalism (DMT) for a surface-bulk system including the interaction of electrons with the optical field and electron-phonon interactions. The matrix elements entering these equations are either determined empirically or by density functional theory (DFT) calculations. In the subsequent parts of the paper, the dynamics at two specific semiconductor surfaces are discussed in detail. The electron relaxation dynamics underlying a time-resolved two photon photoemission experiment at an InP surface is investigated in the limit of a parabolic four band model. Moreover, the electron relaxation dynamics at a Si(100) surface is analysed. Here, the coupling parameters and the band structure are obtained from an DFT calculations. Springer-Verlag, 2007 Buecking N. Institut für Theoretische Physik, Nichtlineare Optik und Quantenelektronik, Technische Universität Berlin, Hardenbergstr. 36, PN 7-1, 10623, Berlin, Germany aut Scheffler M. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195, Berlin, Germany aut Kratzer P. Fachbereich Physik - Theoretische Physik, Universität Duisburg-Essen, Lotharstr. 1, 47048, Duisburg, Germany aut Knorr A. Institut für Theoretische Physik, Nichtlineare Optik und Quantenelektronik, Technische Universität Berlin, Hardenbergstr. 36, PN 7-1, 10623, Berlin, Germany aut Applied Physics A Springer-Verlag 88/3(2007-08-01), 505-518 0947-8396 88:3<505 2007 88 339 https://doi.org/10.1007/s00339-007-4043-4 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s00339-007-4043-4 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Buecking N. Institut für Theoretische Physik, Nichtlineare Optik und Quantenelektronik, Technische Universität Berlin, Hardenbergstr. 36, PN 7-1, 10623, Berlin, Germany aut NATIONALLICENCE 700 1- Scheffler M. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195, Berlin, Germany aut NATIONALLICENCE 700 1- Kratzer P. Fachbereich Physik - Theoretische Physik, Universität Duisburg-Essen, Lotharstr. 1, 47048, Duisburg, Germany aut NATIONALLICENCE 700 1- Knorr A. Institut für Theoretische Physik, Nichtlineare Optik und Quantenelektronik, Technische Universität Berlin, Hardenbergstr. 36, PN 7-1, 10623, Berlin, Germany aut NATIONALLICENCE 773 0- Applied Physics A Springer-Verlag 88/3(2007-08-01), 505-518 0947-8396 88:3<505 2007 88 339 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer