Related papers: Are the renormalized band widths in TTF-TCNQ of st…
We present a theoretical study of the unielectronic energy spectra, electron localization, and optical absorption of triangular core-shell quantum rings. We show how these properties depend on geometric details of the triangle, such as side…
Two approaches (micro- and macro- investigations) are used to determine the dimension dependences of the optical parameters of the nanometer-scale layers of materials. It is shown that both an index of refraction and coefficient of…
Density functional theory calculations have been carried out to investigate single-layer phosphorene functionalized with two kinds of organic molecules, i.e. an electrophilic molecule tetracyano-p-quinodimethane (TCNQ) as electron acceptor…
The adsorption of molecules on surfaces affects the surface dipole and thus changes in the work function may be expected. The effect in change of work function is particularly strong if charge between substrate and adsorbate is involved.…
Charge transfer complexes are materials with a wide range of interesting optical and electronic properties. They have seen a great deal of research over the past decade, both in device development as well as research to elucidate the…
A NuSTAR/Swift observation of the luminous Seyfert 1 galaxy 1H 0419-577 taken during 2015 reveals one of the most extreme high energy cut-offs observed to date from an AGN - an origin due to thermal Comptonization would imply a remarkably…
We propose a thin, compact, broadband, polarization and angle insensitive metamaterial absorber based on a tungsten reflector, silicon spacer and a top pattern composed of a double square-like ring resonator utilizing nickel(Ni). In such a…
The low-coverage adsorption of a molecular electron donor, tetrathiafulvalene, on Au(111) is characterized by the spontaneous formation of superlattice of monomers, whose spacing exceeds the equilibrium distance of non-covalent interactions…
An important goal in molecular physics and chemistry today is to obtain structure-dependent information about molecular function to obtain a deeper understanding into chemical reactions. However, until now, asymmetric tops, which comprise…
We have studied atomic structures of a-sexithienyl (6T) films grown on Cu(110) by near-edge x-ray absorption fine structure (NEXAFS). A one-dimensional (1D) ordered structure of 6T with its molecular long axis parallel to the Cu[001]…
The energy level alignment of the two organic materials forming the TTF-TCNQ interface is analyzed by means of a local orbital DFT calculation, including an appropriate correction for the transport energy gaps associated with both…
While the phenomenon of metal substrate adatom incorporation into molecular overlayers is generally believed to occur in several systems, the experimental evidence for this relies on the interpretation of scanning tunnelling microscopy…
We carry out a theoretical study of unconventional superconductivity in twisted bilayer cuprates (TBC) as a function of electron density and layer twist angle. The bilayer $t$-$J$-$U$ model is employed and analyzed within the framework of a…
The Thouless conjecture states that the average conductance of a disordered metallic sample in the diffusive regime can be related to the sensitivity of the sample's spectrum to a change in the boundary conditions. Here we present results…
An accurate treatment of electronic spectra in large systems with a technique such as time dependent density functional theory (TDDFT) is computationally challenging. Due to the Nyquist sampling theorem, direct real time simulations must be…
The nature of the putative torus and the outer geometry of active galactic nuclei (AGN) are still rather unknown and the subject of active research. Improving our understanding of them is crucial for developing a physical picture for the…
The frequency-dependent conductivity is studied for the one-dimensional Hubbard model, using a selection rule, the Bethe ansatz, and symmetries associated with conservation laws. For densities where the system is metallic the absorption…
Spectroscopies that probe electronic excitations from core levels into unoccupied orbitals, such as X-ray absorption spectroscopy and electron energy loss spectroscopy, are widely used to gain insight into the electronic and chemical…
A different type of topological phase dubbed topological inverse Anderson insulators is proposed, which is characterized by the disorder-induced extended bulk states from the flat-band localization and topological edge states. Based on the…
We have measured the X-ray spectral properties of a complete flux-limited sample of bright AGNs from HEAO-1 all-sky catalogs to investigate their statistics and provide greater constraints on the bright-end of the hard X-ray luminosity…