相关论文: Computing LDOS resonance energy shifts of monatomi…

The tight-binding model for a chain, where the hopping constants follow a Fibonacci sequence, predicts multifractality in the spectrum and wavefunctions. Experimentally, we realize this model by chains of small dielectric resonators with…

We propose a method to probe the local density of states (LDOS) of atomic systems that provides both spatial and energy resolution. The method combines atomic and tunneling techniques to supply a simple, yet quantitative and operational,…

The transport properties of a disordered two-dimensional (2D) honeycomb lattice are examined numerically using the spectral approach to the quantum percolation problem, characterized by an Anderson-type Hamiltonian. In our simulations,…

The local density of states (LDOS) in finite quantum wires is calculated as a function of discrete energies and position along the wire. By using a combination of numerical density matrix renormalization group (DMRG) calculations and…

A recent tight-binding scheme provides a method for extending the results of first principles calculations to regimes involving $10^2 - 10^3$ atoms in a unit cell. The method uses an analytic set of two-center, non-orthogonal tight-binding…

It is shown that, an entire class of off-diagonally disordered linear lattices composed of two basic building blocks and described within a tight binding model can be tailored to generate absolutely continuous energy bands. It can be…

We examine the local density of states (DOS) at low energies numerically and analytically for the Hubbard model in one dimension. The eigenstates represent separate spin and charge excitations with a remarkably rich structure of the local…

To identify an analytical relation between the properties of polymers and their's monomer a Metal-Molecule-Metal (MMM) junction has been presented as an interesting and widely used object of research in which the molecule is a polymer which…

We present a numerical study of single chain models of doped spin 1 compounds. We use low energy effective one-dimensional models for both the cases of paramagnetic and spin-1/2 doping. In the case of paramagnetic doping, the effective…

Motivated by high-accuracy scanning tunneling spectroscopy measurements on disordered two-dimensional electron gases in strong magnetic field, we present an exact solution for the local density of states (LDoS) of electrons moving in an…

We performed numerical calculations of the local density of states (LDOS) at disorder induced localization-delocalization transitions. The LDOS defines a spatial measure for fixed energy and a spectral measure for fixed position. At the…

We study the crossover from the one-dimensional to the two-dimensional Hubbard model in the photoemission spectra of weakly coupled chains. The chains with on-site repulsion are treated using the spin-charge factorized wave function, that…

Doping and strain dependences of the electronic structure of the CuO6-octahedra layer within LDA+GTB method in the frameworks of six-band p-d model are calculated. Band structure and Fermi surface of the quasiparticle excitations in the…

We present experimental evidence for the different mechanisms driving the fluctuations of the local density of states (LDOS) in disordered photonic systems. We establish a clear link between the microscopic structure of the material and the…

Motivated by the recent experimental studies on layered ferromagnetic metallic system GdI2 and its doped variant GdI2Hx we develop a model to understand their ground state magnetic phase diagram. Based on first principle electronic…

We report the results of a first-principles study of dissociative electron attachment to H2O. The cross sections are obtained from nuclear dynamics calculations carried out in full dimensionality within the local complex potential model by…

The interplay of superconductivity and disorder generates a wealth of complex phenomena. In particular, the peculiar structure of diffusive electronic wavefunctions is predicted to increase the superconducting critical temperature in some…

We investigate the spectral properties of one-dimensional lattices with position-dependent hopping amplitudes and on-site potentials that are smooth bounded functions of position. We find an exact integral form for the density of states…

An approach to quantization of the damped harmonic oscillator (DHO) is developed on the basis of a modified Bateman Lagrangian (MBL); thereby some quantum mechanical aspects of the DHO are clarified. We treat the energy operator for the…

Gas phase density-functional theory (DFT) and time-dependent DFT (TD-DFT) calculations are reported for a data base of 98 ruthenium(II) polypyridine complexes. Comparison with X-ray crystal geometries and with experimental absorption…