220 citations
- University of GrazAT3 papers
- Humboldt-Universität zu BerlinDE2 papers
- Institute of Physics BelgradeRS2 papers
- Johannes Kepler University of LinzAT2 papers
- Centre Inria de l'Université de LilleFR1 paper
- Centre National de la Recherche ScientifiqueFR1 paper
- Data61AU1 paper
- Indian Institute of Technology BombayIN1 paper
- Institut de Mathématiques de ToulouseFR1 paper
- Institute of PhysicsPL1 paper
- Isfahan University of TechnologyIR1 paper
- Leibniz University HannoverDE1 paper
7 papers · 1 filter
Nucleation and growth of thin films of rod--like conjugated molecules
Gregor Hlawacek, Christian Teichert
Thin films formed from small molecules rapidly gain importance in different technological fields. To explain their growth, methods developed for zero--dimensional atoms as the film…
Predicting the electronic structure of weakly interacting hybrid systems: The example of nanosized pea-pod structures
Matus Milko, Peter Puschnig, Claudia Draxl
We provide a simple scheme for predicting the electronic structure of van-der-Waals bound systems, based on the mere knowledge of the electronic structure of the subunits. We demon…
Surface energies of AlN allotropes from first principles
David Holec, Paul H. Mayrhofer
In this Letter we present first principle calculation of surface energies of rock-salt (B1), zinc-blende (B3), and wurtzite (B4) AlN allotropes. Out of several low-index facets, th…
Band renormalization of a polymer physisorbed on graphene investigated by many-body perturbation theory
Peter Puschnig, Peiman Amiri, Claudia Draxl
Many-body perturbation theory at the level is employed to study the electronic properties of poly(\emph{para}-phenylene) (PPP) on graphene. Analysis of the charge density…
Energetics and electronic structure of phenyl-disubstituted polyacetylene: A first-principles study
Priya Sony, Alok Shukla, Claudia Ambrosch-Draxl
Phenyl-disubstituted polyacetylene (PDPA) is an organic semiconductor which has been studied during the last years for its efficient photo-luminescence. In contrast, the molecular…
Refraction and rightness in photonic crystals
Rados Gajic, Ronald Meisels, Friedemar Kuchar +1
We present a study on relation between the refraction and rightness effects in photonic crystals applied on a 2D square lattice photonic crystal. The plane wave (the band and equif…