Related papers: Spectra of graphs and semi-conducting polymers
We locate gaps in the spectrum of a Hamiltonian on a periodic cuboidal (and generally hyperrectangular) lattice graph with $\delta$ couplings in the vertices. We formulate sufficient conditions under which the number of gaps is finite. As…
We define the independence ratio and the chromatic number for bounded, self-adjoint operators on an L^2-space by extending the definitions for the adjacency matrix of finite graphs. In analogy to the Hoffman bounds for finite graphs, we…
Entanglement in finite and semi-infinite free Fermionic chains is studied. A parallel is drawn with the analysis of time and band limiting in signal processing. It is shown that a tridiagonal matrix commuting with the entanglement…
In this article, we analyze the spectrum of discrete magnetic Laplacians (DML) on an infinite covering graph $\widetilde{G} \rightarrow G=\widetilde{G} /\Gamma$ with (Abelian) lattice group $\Gamma$ and periodic magnetic potential…
When speaking about molecular electronics, the obvious question which occurs is how does one study it theoretically. The simplest theoretical model suitable for application in molecular electronics is the two dimensional Hubbard model. The…
The ionic Hubbard model on a cubic lattice is investigated using analytical approximations and Wilson's renormalization group for the charge excitation spectrum. Near the Mott insulating regime, where the Hubbard repulsion starts to…
We develop a framework to describe a wide class of flat-band models, with and without a translational symmetry, by using "molecular orbitals" introduced in the prior work (HATSUGAI Y. and MARUYAMA I., \textit{EPL}, \textbf{95}, (2011)…
The full three dimensional dispersion of the pi-bands, Fermi velocities and effective masses are measured with angle resolved photoemission spectroscopy and compared to first-principles calculations. The band structure by density-functional…
We primarily investigate the properties of characteristic polynomials of semimatroids. In particular, we provide a combinatorial interpretation of their coefficients, generalizing the Whitney's Broken Circuit Theorem. We also prove that the…
The spectral fluctuations of a quantum Hamiltonian system with time-reversal symmetry are studied in the semiclassical limit by using periodic-orbit theory. It is found that, if long periodic orbits are hyperbolic and uniformly distributed…
A remarkable consequence of the Hohenberg-Kohn theorem of density functional theory is the existence of an injective map between the electronic density and any observable of the many electron problem in an external potential. In this work,…
Spectral graph theory is a captivating area of graph theory that employs the eigenvalues and eigenvectors of matrices associated with graphs to study them. In this paper, we present a collection of $20$ topics in spectral graph theory,…
We study the spectral and scattering theory of light transmission in a system consisting of two asymptotically periodic waveguides, also known as one-dimensional photonic crystals, coupled by a junction. Using analyticity techniques and…
We investigate the possibility of the emergence of ultra-complex conductivity diagrams in the nearly free electron approximation for metals with cubic symmetry. Estimates show that the emergence of such diagrams requires the Fermi level to…
The simplest approach to deal with light excitations in direct-gap semiconductors is to model them as a two-band system: one conduction and one valence band. For such models, particularly simple analytical expressions are known to exist for…
We investigate numerically the scattering of waves on discrete graphs. An efficient algorithm is developed to compute the reflection and transmission (spectral) coefficients. We then explore various configurations of input and output leads,…
Recently a variety of $\pi$-conjugated polymers have been developed and essayed for a number of applications such as organic light-emitting diodes, organic field-effect transistors, organic photovoltaics, and sensors. Is central for these…
Electronic properties of quasi-two-dimensional molecular conductors $X$[Pd(dmit)$_2$]$_2$ are studied theoretically. We construct an effective model based on the fragment molecular orbital scheme developed recently, which can describe the…
The quantum dynamics of an electron in a uniform magnetic field is studied for geometries corresponding to integrable cases. We obtain the uniform asymptotic approximation of the WKB energies and wavefunctions for the semi-infinite plane…
We study the spectrum of quantized open maps, as a model for the resonance spectrum of quantum scattering systems. We are particularly interested in open maps admitting a fractal repeller. Using the ``open baker's map'' as an example, we…