Related papers: Large electronic bandwidth in solution-processable…
Possible dimerization patterns and electronic structures in fullerene tubules as the \pi-conjugated systems are studied with the extended Su-Schrieffer- Heeger model. We assume various lattice geometries, including helical and nonhelical…
We numerically study the statistical fluctuations of photonic band gaps in ensembles of stealthy hyperuniform disordered patterns. We find that at low stealthiness, where correlations are weak, band gaps of different system realizations…
In graphene moir\'e superlattices, electronic interactions between layers are mostly hidden as band structures get crowded because of folding, making their interpretation cumbersome. Here, the evolution of the electronic band structure as a…
We study optical coefficients that characterize wave propagation through layered structures called plasmonic crystals. These consist of a finite number of stacked metallic sheets embedded in dielectric hosts with a subwavelength spacing. By…
We report first-principles GW-Bethe Salpeter Equation and Quantum Monte Carlo calculations of the optical and electronic properties of molecular and crystalline rubrene (C$_{42}$H$_{28}$). Many-body effects dominate the optical spectrum and…
Owing to the interaction between the layers, the twisted bilayer two-dimensional materials exhibit numerous unique optical and electronic properties different from the monolayer counterpart, and have attracted tremendous interests in…
Transport phenomena in molecular materials are intrinsically linked to the orbital character and the degree of localization of the valence states. Here, we combine angle-resolved photoemission with photoemission tomography to determine the…
Halide perovskites are promising semiconductors for inexpensive, high-performance optoelectronics. Despite a remarkable defect tolerance compared to conventional semiconductors, perovskite thin films still show substantial microscale…
The structural and electronic properties of a single pentacene molecule and a pentacene molecular crystal, an organic semiconductor, are examined by a first-principles method based on the generalized gradient approximation of density…
Numerical calculation of modes in dispersive and absorptive systems is performed using the finite element method. The dispersion is tackled in the frame of an extension of Maxwell's equations where auxiliary fields are added to the…
The electronic band structure of graphene in the presence of spin-orbit coupling and transverse electric field is investigated from first principles using the linearized augmented plane-wave method. The spin-orbit coupling opens a gap at…
Previously, a novel type of rubrene microcrystals was reported, forming two distinct sectors -- diamond- and triangular-shaped -- that exhibit pronounced contrasts in photoluminescence (PL) spectra and exciton dynamics. In the present work,…
An electron beam traversing a structured plasmonic field is shown to undergo diffraction with characteristic angular patterns of both elastic and inelastic outgoing electron components. In particular, a plasmonic {\it grating} (e.g., a…
Periodicity is usually assumed to be the necessary and sufficient condition for the formation of band gaps, i.e., energy bands with a suppressed density of states. Here, we check this premise by analyzing the band gap properties of three…
Light localization and intensity enhancement in a woodpile layer-by-layer photonic crystal, whose interlayer distance along the propagation direction is gradually varied, has been theoretically predicted and experimentally demonstrated. The…
The generic nature of band touching points in three-dimensional band structures is at heart of the rich phenomenology, topological stability and novel Fermi arc surface states associated with Weyl semimetals. Here we report on the…
This work involves the local structural investigation of the samples using Extended X-ray Absorption Spectra (EXAFS) analysis to investigate structural changes due to the Ca and Mn-modified BaTiO3. TEM investigation of the crystal structure…
We study the tunneling of chiral electrons in graphene through a region where the electronic spectrum changes from the usual linear dispersion to a hyperbolic dispersion, due to the presence of a gap. It is shown that contrary to the…
The effects of chemical disorder on the transport properties of the spin-filter material CrVTiAl are investigated experimentally and theoretically. Synchrotron X-ray diffraction experiments on bulk CrVTiAl and the associated Rietveld…
The great interest to the two and three dimensionally periodic structures, called photonic crystals (PCs), has begun with the pioneer works of Yablonovitch and John as one can efficiently control the propagation of the electromagnetic (EM)…