相关论文: Dielectric properties of multiband electron system…

The dielectric constant, which defines the polarization of the media, is a key quantity in condensed matter. It determines several electronic and optoelectronic properties important for a plethora of modern technologies from computer memory…

1$T$-TaS$_2$ is the only insulating transition-metal dichalcogenide (TMD) with an odd number of electrons per unit cell. This insulating state is non-magnetic, making it a potential spin-liquid candidate. The unusual electronic behavior…

We study two correlated electrons in a nearest neighbour tight- binding chain, with both on site and nearest neighbour interaction. Both the cases of parallel and antiparallel spins are considered. In addition to the free electron band for…

Electron-phonon interaction and phonon frequencies of doped polar semiconductors are sensitive to long-range Coulomb forces and can be strongly affected by screening effects of free carriers, the latter changing significantly when…

We show that a discrete tight-binding model representing either a random or a quasiperiodic array of bonds, can have the entire energy spectrum or a substantial part of it absolutely continuous, populated by extended eigenfunctions only,…

The dielectric properties of molecules or nanostructures are usually modified in a complex manner, when assembled into a condensed phase. We propose a first-principles method to compute polarizabilities of sub-entities of solids and…

We present a theoretical approach to determine the electronic properties of nanoscale systems exhibiting strong electron-electron and electron-phonon interactions and coupled to metallic electrodes. This approach is based on an…

The effect of electron-lattice interaction is studied for a strongly correlated electron system described by the two-band Hubbard model. A two-fold effect of electron-lattice interaction is taken into account: in non-diagonal terms, it…

In the framework of four-band envelope-function formalism, developed earlier for spherical semiconductor nanocrystals, we study the electronic structure and optical properties of quantum-confined lead-salt (PbSe and PbS) nanowires (NWs)…

Dirac and Weyl semimetals with linearly crossing bands are the focus of much recent interest in condensed matter physics. Although they host fascinating phenomena, their physics can be understood in terms of weakly interacting electrons. In…

Two-dimensional transition metal dichalcogenides (TMDs) exhibit an extensive variety of novel electronic properties, such as charge density wave quantum spin Hall phenomena, superconductivity, and Dirac and Weyl semi-metallic properties.…

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…

We present the multi-band dual triply irreducible local expansion (D-TRILEX) approach to interacting electronic systems and discuss its numerical implementation. This method is designed for a self-consistent description of multi-orbital…

We study the localization properties of a test dipole feeling the disordered potential induced by dipolar impurities trapped at random positions in an optical lattice. This random potential is marked by correlations which are a convolution…

We present aspects of strong electron correlation in a model of a BI/M/BI heterostructure where BI is a band insulator and M can be tuned from a metal to a Mott insulator by varying the on-site repulsion. An effective one-dimensional…

The electronic band structures and optical properties of cubic, tetragonal, and monoclinic phases of HfO2 are calculated using the first-principles linear augmented plane-wave method, within the density functional theory and generalized…

We address the role of electronic correlations in different kinds of band insulators by using the two-orbital Hubbard model within the dynamical mean-field theory (DMFT). An intriguing finding is that electronic correlations turn a metal…

We study the thermoelectric effect of two-dimensional metals on a square lattice within semiclassical Boltzmann transport theory with particular focus on electron-electron scattering. We compute the electrical conductivity and the Seebeck…

Despite the weak nature of interlayer forces in transition metal dichalcogenide (TMD) materials, their properties are highly dependent on the number of layers in the few-layer two-dimensional (2D) limit. Here, we present a combined scanning…

We obtain parameters for non-orthogonal and orthogonal TB models from two-atomic molecules for all combinations of elements of period 1 to 6 and group 3 to 18 of the periodic table. The TB bond parameters for 1711 homoatomic and…