549 citations
- Carl von Ossietzky Universität OldenburgDE7 papers
- Constructor UniversityDE5 papers
- Max Planck SocietyDE4 papers
- Centre National de la Recherche ScientifiqueFR3 papers
- Imperial College LondonGB3 papers
- Jet Propulsion LaboratoryUS3 papers
- Loughborough UniversityGB3 papers
- Observatoire de la Côte d’AzurFR3 papers
- Office National d'Études et de Recherches AérospatialesFR3 papers
- Staats- und Universitätsbibliothek BremenDE3 papers
- University of OxfordGB3 papers
- Chinese Academy of SciencesCN2 papers
9 papers · 1 filter
Atomistic simulations of self-trapped exciton formation in silicon nanostructures: The transition from quantum dots to nanowires
Y. Wang, R. Q. Zhang, Th. Frauenheim +1
Using an approximate time-dependent density functional theory method, we calculate the absorption and luminescence spectra for hydrogen passivated silicon nanoscale structures with…
Density functional theory study of Fe(II) adsorption and oxidation on goethite surfaces
Benedict Russell, Mike C. Payne, Lucio Colombi Ciacchi
We study the interactions between Fe(II) aqua complexes and surfaces of goethite (alpha-FeOOH) by means of density functional theory calculations including the so-called Hubbard U…
A comparison of atomistic and continuum theoretical approaches to determine electronic properties of GaN/AlN quantum dots
Oliver Marquardt, Daniel Mourad, Stefan Schulz +3
In this work we present a comparison of multiband k.p-models, the effective bond-orbital approach, and an empirical tight-binding model to calculate the electronic structure for th…
Resonant electron heating and molecular phonon cooling in single C junctions
G. Schulze, K. J. Franke, A. Gagliardi +8
We study heating and heat dissipation of a single \c60 molecule in the junction of a scanning tunneling microscope (STM) by measuring the electron current required to thermally dec…
Spin-orbit coupling and crystal-field splitting in the electronic and optical properties of nitride quantum dots with a wurtzite crystal structure
S. Schulz, S. Schumacher, G. Czycholl
We present an tight-binding model for the calculation of the electronic and optical properties of wurtzite semiconductor quantum dots (QDs). The tight-binding model takes in…
Increase of the mean inner Coulomb potential in Au clusters induced by surface tension and its implication for electron scattering
R. Popescu, E. Mueller, M. Wanner +6
Electron holography in a transmission electron microscope was applied to measure the phase shift induced by Au clusters as a function of the cluster size. Large phase shifts Df obs…