相关论文: One-Electron Physics of the Actinides
We report an unconventional temperature dependence of the resistivity in several strongly correlated systems approaching a localized to itinerant electronic transition from the itinerant electron side. The observed resistivity, proportioanl…
The ground-state properties of the single-band triangular lattice Hubbard model with hopping anisotropy and strong interactions remain elusive so far. Here we show that twisted diamond homobilayers with band extrema at $Y$ valley can…
We study quantum dynamics of a wave packet on a class of one dimensional decorated aperiodic lattices, described within a tight binding formalism. We look for the possibility of finding extended single particle states even in the absence of…
The extrapolation of small-cluster exact-diagonalization calculations is used to examine ferromagnetism in the one-dimensional Hubbard model with a generalized type of hopping. It is found that the long-range hopping with power decaying…
Electron transport properties through single conjugated molecules sandwiched between two non-superconducting electrodes are studied by the use of Green's function technique. Based on the tight-binding model, we do parametric calculations to…
In recent years, low-dimensional materials with tetragonal $P4/nmm$ (orthorhombic $Pnma$) space group having square-net (chain-like) substructure of $p$-block elements have been studied extensively. By using a first-principles calculation…
The theory of correlated electron systems is formulated in a form which allows to use as a reference point an ab initio band structure theory (AIBST). The theory is constructed in two steps. As a first step the total Hamiltonian is…
Correlation computations on multiband Hubbard Hamiltonians are presented. It is shown why the proper degeneracy is of vital importance and that the atomic exchange interaction plays a particular role. The different methods are connected,…
We study a system composed of fermions (electrons), hopping on a square lattice, and of immobile particles (ions), that is described by the spinless Falicov-Kimball Hamiltonian augmented by a next-nearest-neighbor attractive interaction…
Disorder or sufficiently strong interactions can render a metallic state unstable causing it to turn into an insulating one. Despite the fact that the interplay of these two routes to a vanishing conductivity has been a central research…
We present density functional theory calculations of the binding energies of one, two and three fluorine adatoms on the same side of monolayer graphene. We show that fluorine dimers on graphene in a spin-singlet state are stable against…
We report a detailed theoretical study of the bonding and conduction properties of an hydrogen molecule joining either platinum or palladium electrodes. We show that an atomic arrangement where the molecule is placed perpendicular to the…
In order to clarify magnetic properties of filled skutterudites, we analyze the Anderson model including seven $f$ orbitals hybridized with an $a_{\rm u}$ conduction band using a numerical technique. For $n$=2 corresponding to Pr-based…
The single-parameter scaling hypothesis predicts the absence of delocalized states for noninteracting quasiparticles in low-dimensional disordered systems. We show analytically and numerically that extended states may occur in the one- and…
We use the density matrix renormalization group method to study the interplay of the localized and itinerant behaviors in the one-dimensional Kondo-Heisenberg model. We find signatures of simultaneously localized and itinerant behaviors of…
I discuss the properties of electron states in amorphous Si based on large scale calculations with realistic several thousand atom models. A relatively simple model for the localized to extended (Anderson) transition is reviewed. Then, the…
We study a model in which a Hubbard Hamiltonian is coupled to the dispersive phonons in a classical nonlinear lattice. Our calculations are restricted to the case where we have only two quasi-particles of opposite spins, and we investigate…
We characterize the single-electron energies and the wavefunction structure of arrays with two, three, and four phosphorus atoms in silicon by implementing atomistic tight-binding calculations and analyzing wavefunction overlaps to identify…
We numerically analyze the energy level statistics of the Anderson model with Gaussian site disorder and constant hopping. The model is realized on different two-dimensional lattices, namely, the honeycomb, the kagom\'e, the square, and the…
We study a system in which the quantum dynamics of electrons depend on the particle density in their neighborhood. For any on-site repulsive interaction, we show that the exact two-body and three-body ground states are bound states. We also…