相关论文: Modifications and Extensions to Harrison's Tight-B…

A nonperturbative method to obtain on- and off-site one-particle Green's function is introduced and applied to noninteracting Hubbard model with next nearest neighbor hopping and interacting Hubbard model in large dimensions, for example.…

Metamaterials based on mechanical elements have been developed over the past decade as a powerful platform for exploring analogs of electron transport in exotic regimes that are hard to produce in real materials. In addition to enabling new…

Theoretical quest of flat-band tight-binding models usually relies on lattice structures on which electrons reside. Typical examples of candidate lattice structures include the Lieb-type lattices and the line graphs. Meanwhile, there can be…

We consider a polaron model where molecular \emph{rotations} are important. Here, the usual hopping between neighboring sites is affected directly by the electron-phonon interaction via a {\em twist-dependent} hopping amplitude. This model…

We report an universal behaviour of hopping transport in strongly interacting mesoscopic two-dimensional electron systems (2DES). In a certain window of background disorder, the resistivity at low perpendicular magnetic fields follows the…

The single-polaron band structure of the Holstein model in one and two dimensions is studied using a new form of resummed strong-coupling perturbation theory. Well converged results are obtained for phonon frequencies of the order of the…

Theoretical progress in graphene physics has largely relied on the application of a simple nearest-neighbor tight-binding model capable of predicting many of the electronic properties of this material. However, important features that…

In the era of 2D and quasi-2D quantum materials one needs to model strain at the level of the Hamiltonian as opposed to a semi-classical approach. Corrections to the electronic Hamiltonian due to strain arise from two sources: deformations…

We investigate the band structure of chromium nitride using the $N$th-order muffin-tin orbitals (NMTO) based downfolding technique. We obtain downfolded Cr $d$ bands including both $e_{g}$ and $t_{2g}$ states and the hopping integrals of…

The energy level spacing distribution of a tight-binding hamiltonian is monitored across the mobility edge for a fixed disorder strength. Any mixing of extended and localized levels is avoided in the configurational averages, thus…

We present a method for total energy minimizations and molecular dynamics simulations based either on tight-binding or on Kohn-Sham hamiltonians. The method leads to an algorithm whose computational cost scales linearly with the system…

When atomically thin two-dimensional (2D) materials are layered they often form incommensurate non-crystalline structures that exhibit long-period moir{\' e} patterns when examined by scanning probes. In this paper we present an approach…

We use the two dimensional extended Hubbard Hamiltonian with the position of the attractive potential as a variable parameter with a BCS type approach to study the interplay between the superconductor transition temperature $T_c$ and hole…

Complex molecules and mesoscopic structures are naturally described by general networks of elementary building blocks and tight-binding is one of the simplest quantum model suitable for studying the physical properties arising from the…

We present studies of the atomic limit of the extended Hubbard model with pair hopping for arbitrary electron density and arbitrary chemical potential. The Hamiltonian consists of (i) the effective on-site interaction $U$ and (ii) the…

Onsite gain-loss-induced topological braiding principle of non-Hermitian energy bands is theoretically formulated in multiband lattice models with Hermitian hopping amplitudes. Braid phase transition occurs when the gain-loss parameter is…

We discuss a model for the on-site matrix elements of the sp3d5s* tight-binding hamiltonian of a strained diamond or zinc-blende crystal or nanostructure. This model features on-site, off-diagonal couplings between the s, p and d orbitals,…

One- and two-dimensional bilayer systems are examples of ultra-tunable quantum materials that are considered as the basis for the new generation of electronic and photonic devices. Here we develop a general theory of the electron band…

We compute the dispersion laws of chaotic periodic systems using the semiclassical periodic orbit theory to approximate the trace of the powers of the evolution operator. Aside from the usual real trajectories, we also include complex…

Electronic and thermoelectric transport in zigzag monolayer WSe$_2$ nanoribbons are studied under monochromatic irradiation. The electronic structure is described within a six-orbital tight-binding framework constructed from the relevant…