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

We calculate the phase diagram of the topological honeycomb model in the presence of strong interactions. We concentrate on half filling and employ a ${\mathbb Z}_{2}$ slave-spin method to find a band insulator with staggered density, a…

Electron transmission and wave functions through junctions with a pair of a pentagonal defect and a heptagonal defect connecting two metallic carbon nanotubes are analyzed by the analytical calculation with the effective mass equation. The…

We propose a new approach to study the transition between different topological states, based on the assessment of the vibrational resonances in infrared spectra. We consider the Haldane and Kane-Mele models finding that Born effective…

This article reports on a very recent proposal for a new type of process-independent QCD effective charge [Phys.Rev.D96(2017)054026] defined, as an anologue of the Gell-Mann-Low effective charge in QCD, on the ground of nothing but the…

We propose a simple approximation scheme to compute the effective charge of highly charged colloids (spherical or cylindrical with infinite length). Within non-linear Poisson-Boltzmann theory, we start from an expression of the effective…

We study the electronic and optical properties of strained single-layer SnC in the density functional theory (DFT) and tight-binding models. We extract the hopping parameters tight-binding Hamiltonian for monolayer SnC by considering the…

We construct the low-energy effective theory for the SO(5) model of high-T_c superconductivity, recently proposed by S.C. Zhang (cond-mat/9610140). This permits us to develop a systematic expansion for low-energy observables in powers of…

By a combination of Monte Carlo simulations and analytical calculations, we investigate the effective interactions between highly charged planar interfaces, neutralized by mobile counterions (salt-free system). While most previous analysis…

This paper provides a general framework for deriving effective material properties of one-dimensional, time-modulated systems of subwavelength resonators. It applies to subwavelength resonator systems with a general form of time-dependent…

We construct a generalized transfer matrix corresponding to noninteracting tight-binding lattice models, which can subsequently be used to compute the bulk bands as well as the edge states. Crucially, our formalism works even in cases where…

Calculations of the zone center optical mode frequencies (including LO-TO splitting), Born effective charges Z$^*_{\alpha\alpha}$ for each atom, dielectric constants $\epsilon_{0}$ and $\epsilon_{\infty}$, and the dielectric response in the…

The heterogeneity of composite leads to the extra charge concentration at the boundaries of different phases that results essentially nonzero effective electric susceptability. The relation between tensors of effective electric…

In order to calculate the effective mass of quasiparticles for a strongly correlated metallic system in which the number of carriers, n, is less than that of atoms (or lattices), l, the metallic system is averaged by one effective charge…

The past years have witnessed impressive advances in electronic structure calculation, especially in the complexity and size of the systems studied, as well as in computation time. Linear scaling methods based on empirical tight-binding…

An efficient method to compute magnetic exchange interactions in systems with strong correlations is introduced. It is based on a magnetic force theorem which evaluates linear response due to rotations of magnetic moments and uses a novel…

We develop a theory of the low-temperature charge transfer between a superconductor and a hopping insulator. We show that the charge transfer is governed by the coherent two-electron -- Cooper pair conversion process, time reversal…

Accurate charge densities are essential for reliable electronic structure calculations because they significantly impact predictions of various chemical properties and in particular, according to the Hellmann-Feynman theorem, atomic forces.…

In the band theory, first-principles calculations, the tight-binding method and the effective $k\cdot p$ model are usually employed to investigate the electronic structure of condensed matters. The effective $k\cdot p$ model has a compact…

The methods which are actively used for electronic structure calculations of low-lying states of heavy- and superheavy-element compounds are briefly described. The advantages and disadvantages of calculations with the Dirac-Coulomb-Breit…

Based on a successful description of II-VI ternary alloys, which introduces an empirical bowing parameter to the widely used virtual crystal approximation, we set up a tight-binding Hamiltonian to describe the Zn_{1-y}Cd_ySe_{1-x}Te_x and…