相关论文: Semiconductor effective charges from tight-binding…

With the help of a tight-binding (TB) electronic-structure toy model we investigate the matching of parameters across hetero-interfaces . We demonstrate that the virtual crystal approximation, commonly employed for this purpose, may not…

The electronic properties of single-layer antimony are studied by a combination of first-principles and tight-binding methods. The band structure obtained from relativistic density functional theory is used to derive an analytic…

We propose a class of exactly solvable anisotropic tight-binding models on an infinite-dimensional hypercube. The energy spectrum is analytically computed and is shown to be fractal and/or absolutely continuous according to the value…

A simulated annealing (SA) approach is employed in the determination of different tight binding (TB) sets of parameters for the nitride semiconductors AlN, GaN and InN, as well their limitations and potentialities are also discussed. Two…

We investigate the electronic structure of the ternary iron selenide K$_{y}$% Fe$_{1.6}$Se$_{2}$ by considering the spatial symmetry of the $\sqrt{5}% \times \sqrt{5}$ vacancy ordered structure. Based on three orbitals of $% t_{2g}$, which…

We study a transverse electron-hole focusing effect in a normal-superconductor system. The spectrum of the quasiparticles is calculated both quantum mechanically and in semiclassical approximation, showing an excellent agreement. A…

Bound electron pairs formed due to the peculiarities of the band dispersion of electrons in crystals attract much interest because they can carry charge and spin even in the absence of band conductivity. However, such an important parameter…

Most of the investigations to date on tight-binding, quantum percolation models focused on the quantum percolation threshold, i.e., the analogue to the Anderson transition. It appears to occur if roughly 30% of the hopping terms are…

The transverse folding algorithm [Phys. Rev. Lett. 102, 240603] is a tensor network method to compute time-dependent local observables in out-of-equilibrium quantum spin chains that can sometimes overcome the limitations of matrix product…

The speed of integrated circuits is ultimately limited by the mobility of electrons or holes, which depend on the effective mass in a semiconductor. Here, building on an analogy with electromagnetic metamaterials and transformation optics,…

We introduce the first multiorbital effective tight-binding model to describe the effect of electron-electron interactions in this system. Upon fixing all the effective hopping parameters in the normal state against an ab initio band…

We study theoretically the coherent electron focusing in graphene nanoribbons. Using semiclassical and numerical tight binding calculations we show that perfect armchair edges give rise to equidistant peaks in the focusing spectrum. In the…

We argue that twisted graphene nanoribbons subjected to a transverse electric field can operate as a variety of nanoelectronic devices, such as tunable tunnel diodes with current-voltage characteristics controlled by the transverse field.…

We evaluate the electron transmission through a dangling-bond wire on Si(100)-H (2x1). Finite wires are modelled by decoupling semi-infinite Si electrodes from the dangling-bond wire with passivating H atoms. The calculations are performed…

We propose an effective model called the "charge model", for the half-filled one-dimensional Hubbard and extended Hubbard models. In this model, spin-charge separation, which has been justified from an infinite on-site repulsion ($U$) in…

We study the entanglement spectrum (ES) of two-dimensional $C_{n}$-symmetric second-order topological insulators (TIs). We show that some characteristic higher order topological observables, e.g., the filling anomaly and its associated…

Rapid design and development of the emergent ultra-wide bandgap semiconductors Ga$_2$O$_3$ and Al$_2$O$_3$ requires a compact model of their electronic structures, accurate over the broad energy range accessed in future high-field,…

We compare the predictions of the Nambu-Goto effective string model with a set of high precision Monte Carlo results for interfaces with periodic boundary conditions in the 3D Ising model. We compute the free energy in the covariant gauge…

This is the first of two papers devoted to tight-binding electronic spectra on graphs with the topology of the sphere. In this work the one-electron spectrum is investigated as a function of the radial magnetic field produced by a magnetic…

Elastic quantum bound-state reflection from a hard-wall boundary provides direct information regarding the structure and compressibility of quantum bound states. We discuss elastic quantum bound-state reflection and derive a general theory…