@article{13503, abstract = {{

First-principles calculations were combined with scanning tunneling microscopy (STM) measurements to analyze the adsorption of diindenoperylene (DIP) molecules on Cu(111) surfaces.

}}, author = {{Aldahhak, Hazem and Matencio, S. and Barrena, E. and Ocal, C. and Schmidt, Wolf Gero and Rauls, E.}}, issn = {{1463-9076}}, journal = {{Physical Chemistry Chemical Physics}}, pages = {{8776--8783}}, title = {{{Structure formation in diindenoperylene thin films on copper(111)}}}, doi = {{10.1039/c4cp05271d}}, volume = {{17}}, year = {{2015}}, } @article{13499, author = {{Thissen, Peter and Fuchs, Ehud and Roodenko, Katy and Peixoto, Tatiana and Batchelor, Ben and Smith, Dennis and Schmidt, Wolf Gero and Chabal, Yves}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{16947--16953}}, title = {{{Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol}}}, doi = {{10.1021/acs.jpcc.5b03816}}, volume = {{119}}, year = {{2015}}, } @article{13507, author = {{Landmann, M. and Rauls, E. and Schmidt, Wolf Gero and Neumann, M. D. and Speiser, E. and Esser, N.}}, issn = {{1098-0121}}, journal = {{Physical Review B}}, title = {{{GaNm-plane: Atomic structure, surface bands, and optical response}}}, doi = {{10.1103/physrevb.91.035302}}, volume = {{91}}, year = {{2015}}, } @article{13498, author = {{Rohrmüller, Martin and Hoffmann, Alexander and Thierfelder, Christian and Herres-Pawlis, Sonja and Schmidt, Wolf Gero}}, issn = {{0192-8651}}, journal = {{Journal of Computational Chemistry}}, number = {{21-22}}, pages = {{1672--1685}}, title = {{{The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†}}}, doi = {{10.1002/jcc.23983}}, volume = {{36}}, year = {{2015}}, } @article{13497, author = {{Baghbanpourasl, Amirreza and Schmidt, Wolf Gero and Denk, Mariella and Cobet, Christoph and Hohage, Michael and Zeppenfeld, Peter and Hingerl, Kurt}}, issn = {{0039-6028}}, journal = {{Surface Science}}, pages = {{231--236}}, title = {{{Water adsorbate influence on the Cu(110) surface optical response}}}, doi = {{10.1016/j.susc.2015.07.020}}, volume = {{641}}, year = {{2015}}, } @article{4330, abstract = {{Sources of single photons are key elements for applications in quantum information science. Among the different sources available, semiconductor quantum dots excel with their integrability in semiconductor on-chip solutions and the potential that photon emission can be triggered on demand. Usually, the photon is emitted from a single-exciton ground state. Polarization of the photon and time of emission are either probabilistic or pre-determined by electronic properties of the system. Here, we study the direct two-photon emission from the biexciton. The two-photon emission is enabled by a laser pulse driving the system into a virtual state inside the band gap. From this intermediate state, the single photon of interest is then spontaneously emitted. We show that emission through this higher-order transition provides a versatile approach to generate a single photon. Through the driving laser pulse, polarization state, frequency and emission time of the photon can be controlled on-the-fly.}}, author = {{Heinze, Dirk and Breddermann, Dominik and Zrenner, Artur and Schumacher, Stefan}}, issn = {{2041-1723}}, journal = {{Nature Communications}}, number = {{1}}, publisher = {{Springer Nature}}, title = {{{A quantum dot single-photon source with on-the-fly all-optical polarization control and timed emission}}}, doi = {{10.1038/ncomms9473}}, volume = {{6}}, year = {{2015}}, } @article{22946, abstract = {{The Kane–Mele model was previously used to describe effective spin–orbit couplings (SOCs) in graphene. Here we extend this model and also incorporate curvature effects to analyze the combined influence of SOC and curvature on the band structure of carbon nanotubes (CNTs). The extended model then reproduces the chirality-dependent asymmetric electron-hole splitting for semiconducting CNTs and in the band structure for metallic CNTs shows an opening of the band gap and a change of the Fermi wave vector with spin. For chiral semiconducting CNTs with large chiral angle we show that the spin-splitting configuration of bands near the Fermi energy depends on the value of $\text{mod}(2n+m,3)$ .}}, author = {{Liu, Hong and Heinze, Dirk Florian and Thanh Duc, Huynh and Schumacher, Stefan and Meier, Torsten}}, issn = {{0953-8984}}, journal = {{Journal of Physics: Condensed Matter}}, number = {{44}}, title = {{{Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling}}}, doi = {{10.1088/0953-8984/27/44/445501}}, volume = {{27}}, year = {{2015}}, } @article{13922, author = {{Liu, Hong and Heinze, Dirk Florian and Thanh Duc, Huynh and Schumacher, Stefan and Meier, Torsten}}, issn = {{0953-8984}}, journal = {{Journal of Physics: Condensed Matter}}, number = {{44}}, title = {{{Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling}}}, doi = {{10.1088/0953-8984/27/44/445501}}, volume = {{27}}, year = {{2015}}, } @article{15860, author = {{Denis, Jean-Christophe and Schumacher, Stefan and Hedley, Gordon J. and Ruseckas, Arvydas and Morawska, Paulina O. and Wang, Yue and Allard, Sybille and Scherf, Ullrich and Turnbull, Graham A. and Samuel, Ifor D. W. and Galbraith, Ian}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{9734--9744}}, title = {{{Subpicosecond Exciton Dynamics in Polyfluorene Films from Experiment and Microscopic Theory}}}, doi = {{10.1021/acs.jpcc.5b00680}}, year = {{2015}}, } @article{15858, author = {{Tse, Y C and Chan, Chris K P and Luk, M H and Kwong, N H and Leung, P T and Binder, R and Schumacher, Stefan}}, issn = {{1367-2630}}, journal = {{New Journal of Physics}}, title = {{{A population-competition model for analyzing transverse optical patterns including optical control and structural anisotropy}}}, doi = {{10.1088/1367-2630/17/8/083054}}, year = {{2015}}, } @article{15857, author = {{Di Nuzzo, Daniele and Fontanesi, Claudio and Jones, Rebecca and Allard, Sybille and Dumsch, Ines and Scherf, Ullrich and von Hauff, Elizabeth and Schumacher, Stefan and Da Como, Enrico}}, issn = {{2041-1723}}, journal = {{Nature Communications}}, title = {{{How intermolecular geometrical disorder affects the molecular doping of donor–acceptor copolymers}}}, doi = {{10.1038/ncomms7460}}, year = {{2015}}, } @article{15859, author = {{Schmutzler, Johannes and Lewandowski, Przemyslaw and Aßmann, Marc and Niemietz, Dominik and Schumacher, Stefan and Kamp, Martin and Schneider, Christian and Höfling, Sven and Bayer, Manfred}}, issn = {{1098-0121}}, journal = {{Physical Review B}}, title = {{{All-optical flow control of a polariton condensate using nonresonant excitation}}}, doi = {{10.1103/physrevb.91.195308}}, year = {{2015}}, } @article{13818, author = {{Neuba, Adam and Rohrmüller, Martin and Hölscher, Rebecca and Schmidt, Wolf Gero and Henkel, Gerald}}, issn = {{0020-1693}}, journal = {{Inorganica Chimica Acta}}, pages = {{225--238}}, title = {{{A panel of peralkylated sulfur–guanidine type bases: Novel pro-ligands for use in biomimetic coordination chemistry}}}, doi = {{10.1016/j.ica.2015.03.015}}, volume = {{430}}, year = {{2015}}, } @article{13930, author = {{Oreshnikov, I. and Driben, R. and Yulin, A. V.}}, issn = {{0146-9592}}, journal = {{Optics Letters}}, number = {{21}}, title = {{{Weak and strong interactions between dark solitons and dispersive waves}}}, doi = {{10.1364/ol.40.004871}}, volume = {{40}}, year = {{2015}}, } @article{13924, author = {{Oreshnikov, I. and Driben, R. and Yulin, A. V.}}, issn = {{0146-9592}}, journal = {{Optics Letters}}, number = {{21}}, title = {{{Weak and strong interactions between dark solitons and dispersive waves}}}, doi = {{10.1364/ol.40.004871}}, volume = {{40}}, year = {{2015}}, } @article{13923, author = {{Oreshnikov, I. and Driben, R. and Yulin, A. V.}}, issn = {{0146-9592}}, journal = {{Optics Letters}}, number = {{23}}, title = {{{Interaction of high-order solitons with external dispersive waves}}}, doi = {{10.1364/ol.40.005554}}, volume = {{40}}, year = {{2015}}, } @article{13931, author = {{Driben, R. and Yulin, A. V. and Efimov, A.}}, issn = {{1094-4087}}, journal = {{Optics Express}}, number = {{15}}, title = {{{Resonant radiation from oscillating higher order solitons}}}, doi = {{10.1364/oe.23.019112}}, volume = {{23}}, year = {{2015}}, } @article{13925, author = {{Driben, R. and Yulin, A. V. and Efimov, A.}}, issn = {{1094-4087}}, journal = {{Optics Express}}, number = {{15}}, title = {{{Resonant radiation from oscillating higher order solitons}}}, doi = {{10.1364/oe.23.019112}}, volume = {{23}}, year = {{2015}}, } @article{13929, author = {{Oreshnikov, I. and Driben, R. and Yulin, A. V.}}, issn = {{0146-9592}}, journal = {{Optics Letters}}, number = {{23}}, title = {{{Interaction of high-order solitons with external dispersive waves}}}, doi = {{10.1364/ol.40.005554}}, volume = {{40}}, year = {{2015}}, } @article{18470, abstract = {{Using ab initio computational methods, we study the structural and electronic properties of strained silicon, which has emerged as a promising technology to improve the performance of silicon-based metal-oxide-semiconductor field-effect transistors. In particular, higher electron mobilities are observed in n-doped samples with monoclinic strain along the [110] direction, and experimental evidence relates this to changes in the effective mass as well as the scattering rates. To assess the relative importance of these two factors, we combine density-functional theory in the local-density approximation with the GW approximation for the electronic self-energy and investigate the effect of uniaxial and biaxial strains along the [110] direction on the structural and electronic properties of Si. Longitudinal and transverse components of the electron effective mass as a function of the strain are derived from fits to the quasiparticle band structure and a diagonalization of the full effective-mass tensor. The changes in the effective masses and the energy splitting of the conduction-band valleys for uniaxial and biaxial strains as well as their impact on the electron mobility are analyzed. The self-energy corrections within GW lead to band gaps in excellent agreement with experimental measurements and slightly larger effective masses than in the local-density approximation.}}, author = {{Bouhassoune, Mohammed and Schindlmayr, Arno}}, issn = {{1687-8124}}, journal = {{Advances in Condensed Matter Physics}}, publisher = {{Hindawi}}, title = {{{Ab initio study of strain effects on the quasiparticle bands and effective masses in silicon}}}, doi = {{10.1155/2015/453125}}, volume = {{2015}}, year = {{2015}}, }