Related papers: Layer-dependent Quasiparticle Electronic Structure…
Graphene films prepared by heating the SiC(000-1) surface (the C-face of the {0001} surfaces) in vacuum or in a Si-rich environment are compared. It is found that different interface structures occur for the two situations. The former…
In this paper we analyze theoretically how the introduction of the third component into the two-dimensional photonic crystal influences the photonic band structure and the density-of-states of the system. We consider the periodic array of…
Phase-change materials (PCMs)-based integrated photonic memory offers a viable pathway for the development of neuromorphic computing chip. The sizable optical contrast in the telecom band between amorphous and crystalline phases of PCM, in…
Soft particles such as microgels and core-shell particles can undergo significant and anisotropic deformations when adsorbed to a liquid interface. This, in turn, leads to a complex phase behavior upon compression. Here we develop a…
The broad use of organic semiconductors for optoelectronic applications relies on quantitative understanding and control of their spectroscopic properties. Of paramount importance are the transport gap - the difference between ionization…
Integration of organic semiconductors into flexible electronics requires that their optoelectronic properties remain stable under mechanical deformation. Among these, the optical band gap governs exciton generation and limits photovoltaic…
In this article a concept is introduced, which allows for reduced Coulomb interaction in organic solar cells and as such for enhanced power conversion efficiencies. The concept is based on the introduction of electrically insulating,…
We present electronic structure calculations of few-layer epitaxial graphene nanoribbons on SiC(0001). Trough an atomistic description of the graphene layers and the substrate within the extended H\"{u}ckel Theory and real/momentum space…
Two pressure-induced phase transitions have been theoretically studied in the layered iron phosphorus triselenide (FePSe3). Topological analysis of chemical bonding in FePSe3 has been performed based on the results of first-principles…
There is increased interest in the heterogeneous integration of various compound semiconductors with Si for a variety of electronic and photonic applications. This paper focuses on integrating GaAsSb (with absorption in the C-band at…
Performing an analysis within density functional theory, we develop insight into the structural and electronic properties of the oxide heterostructure LaAlO3/SrTiO3. Electrostatic surface effects are decomposed from the internal lattice…
In this paper we use density functional theory combined with dynamical mean-field theory (DFT+DMFT) to study interface effects between thin films of the correlated metal CaVO$_3$ and the two typical substrate materials SrTiO$_3$ and…
The epitaxial growth of complex oxides enables the production of high-quality films, yet substrate choice is restricted to certain symmetry and lattice parameters, thereby limiting the technological applications of epitaxial oxides. In…
We used x-ray photoemission spectroscopy to investigate the electronic structure of the Mott insulator LaVO3 embedded in LaAlO3. By limiting the upper layer of LaAlO3 to 3 unit cells, the underlying LaVO3 could be probed. The V 2p…
Pd(100) ultrathin films show ferromagnetism induced by the confinement of electrons in the film, i.e., the quantum-well mechanism. In this study, we investigate the effect of the change in the interface structure between a Pd film and…
Triplet excitons have been the focus of considerable attention with regards to the functioning of polymer solar cells, because these species are long-lived and quench subsequently generated singlet excitons in their vicinity. The role of…
Lattice matched n-type AlInP(100) charge selective contacts are commonly grown on n-p GaInP(100) top absorbers in high-efficiency III-V multijunction solar or photoelectrochemical cells. The cell performance can be greatly limited by the…
To resolve the microscopic origin of magnetism in the Fe2O3/FeTiO3-system, we have performed density functional theory calculations taking into account on-site Coulomb repulsion. By varying systematically the concentration, distribution and…
The attraction between electrons and holes in semiconductors forms excitons, which largely determine the optical properties of the hosting material, and hence the device performance, especially for low-dimensional systems. Mono- and…
Models of organic bulk heterojunction photovoltaics which include the effect of spatially varying composition of donor/acceptor materials are developed and analyzed. Analytic expressions for the current-voltage relation in simplified cases…