Related papers: Large electronic bandwidth in solution-processable…
The electronic structure of high-quality van der Waals NiPS$_3$ crystals was studied using near-edge x-ray absorption spectroscopy (NEXAFS) and resonant photoelectron spectroscopy (ResPES) in combination with density functional theory (DFT)…
Density functional theory with local density approximation for exchange and correlation functional is used to tune the electronic band structure of silicene monolayer. The cohesive energy of free standing monolayer is increasing…
Application of a displacement field opens a gap and enhances the Van-Hove singularities in the band structure of Bernal-stacked bilayer graphene. By adjusting the carrier density so that the Fermi energy lies in the vicinity of these…
The existence of surface electromagnetic waves in the dielectric-metal interface is due to the sign change of real parts of permittivity across the interface. In this work, we demonstrate that the interface constructed by two semi-infinite…
A rectangular graphyne sheet is composed of units similar to phenyl rings that are linked by acetylenic chains, as in hexagonal $\gamma$-graphyne. This system is organized over a rectangular lattice similar to that of the recently…
We perform ab initio calculations of optical properties for a typical semiconductor conjugated polymer, poly-para-phenylenevinylene, in both isolated chain and crystalline packing. In order to obtain results for excitonic energies and…
The interaction of high-energy electrons and X-ray photons with soft semiconductors such as halide perovskites is essential for the characterisation and understanding of these optoelectronic materials. Using nano-probe diffraction…
We report the first angle-resolved photoemission measurement of the wave-vector dependent plasmon satellite structure of a three-dimensional solid, crystalline silicon. In sharp contrast to nanomaterials, which typically exhibit strongly…
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…
The identification of a complete three-dimensional (3D) photonic band gap in real crystals always employs theoretical or numerical models that invoke idealized crystal structures. Thus, this approach is prone to false positives (gap wrongly…
Molecular crystals are a flexible platform to induce novel electronic phases. Due to the weak forces between molecules, intermolecular distances can be varied over relatively larger ranges than interatomic distances in atomic crystals. On…
When two-dimensional crystals are brought into close proximity, their interaction results in strong reconstruction of electronic spectrum and local crystal structure. Such reconstruction strongly depends on the twist angle between the two…
Magnetic materials with noncollinear spin textures are promising for spintronic applications. To realize practical devices, control over the length and energy scales of such spin textures is imperative. The chiral helimagnets Cr1/3NbS2 and…
Serpentine interconnects are highly stretchable and frequently used in flexible electronic systems. In this work, we show that the undulating geometry of the serpentine interconnects will generate phononic band gaps to manipulate elastic…
Recently, a silicon micromachining method to produce tetrahedral silicon particles was discovered. In this report we determine, using band structure calculations, the optical properties of diamond-lattice photonic crystals when assembled…
We report density-functional-theory calculations of the electronic band structures and optical absorption spectra of two-dimensional crystals of Ga$_2$X$_2$ (X=S, Se, and Te). Our calculations show that all three two-dimensional materials…
For a wide class of technologically relevant compound III-V and II-VI semiconductor materials AC and BC mixed crystals (alloys) of the type A(x)B(1-x)C can be realized. As the electronic properties like the bulk band gap vary continuously…
Stanene is a two-dimensional (2D) buckled honeycomb structure which has been studied recently owing to its promising electronic properties for potential electronic and spintronic applications in nanodevices. In this article, we present a…
We investigate the effects of environmental dielectric screening on the electronic dispersion and the band gap in the atomically-thin, quasi two-dimensional (2D) semiconductor WS$_2$ using correlative angle-resolved photoemission and…
The electronic structure of graphene on Cu(111) and Cu(100) single crystals is investigated using low energy electron microscopy, low energy electron diffraction and angle resolved photoemission spectroscopy. On both substrates the graphene…