Related papers: Strong-correlation effects in Born effective charg…
Complexity in materials often arises from competing interactions at the atomic length scale. One such example are the strongly correlated heavy-fermion materials where the competition between Kondo screening and antiferromagnetic ordering…
In this paper we analyze how radiation effects influence the correlation functions, the excess energy, and in turn the electron correlation energy of the quantized electron gas at temperature $T=0$. To that aim we resort to a statistical…
The recent discovery of topological insulator (TI) offers new opportunities for the development of thermoelectrics, because many TIs (like Bi$_2$Te$_3$) are excellent thermoelectric (TE) materials. In this review, we will first describe the…
We derive the effective charge- and current-density operators for the strong-coupling limit of a single-band Mott insulator in the presence of spin-orbit coupling and show that the spin-orbit contribution to the effective charge density…
Despite serious effort, the nature of the magnetic interactions and the role of electron-correlation effects in magnetic two-dimensional (2D) van der Waals materials remain elusive. Using CrI$_3$ as a model system, we show that the…
The electron structure functions are studied in polarized $e^+e^-$ scattering. The formulae for longitudinally and transversely polarized electrons are presented. The smallnes of the electron mass leads to negligible cross-sections and…
The Born effective charge, Z*, that describes the polarization created by collective atomic displacements, can be computed from first-principles following different techniques. We establish the connections existing between these different…
By using the first-principles method based on density of functional theory, we study the electronic properties of twisted bilayer graphene with some specific twist angles and interlayer spacings. With the decrease of the twist angle(the…
In the framework of ab initio dynamical mean field theory for realistic electronic structure calculations a new perturbation scheme which combine the T-matrix and fluctuating exchange approximations has been proposed. This method is less…
An unexplored physical mechanism which produces a magnetoelectric effect in ferroelectric/ferromagnetic multilayers is studied based on first-principles calculations. Its origin is a change in bonding at the ferroelectric/ferromagnet…
We develop a microscopic description of an electron-doped two-dimensional semiconductor embedded in a microcavity. Specifically, we investigate the interactions between exciton-polaritons and electrons for the case where the interactions…
Strong coupling phenomena, such as the like charged macroions attraction, opposite charged macroions repulsion, charge renormalization or charge inversion, are known to be mediated by multivalent counterions. Most theories treat the…
The interaction between the electronic and structural degrees of freedom is central to several intriguing phenomena observed in condensed-matter physics. In magnetic materials, magnetic interactions couple to lattice degrees of freedom,…
We investigate the effect of tuning the phonon energy on the correlation effects in models of electron-phonon interactions using DMFT. In the regime where itinerant electrons, instantaneous electron-phonon driven correlations and static…
Electronic correlations in the ground state of an idealized infinite-layer high-Tc compound are computed using the ab-initio method of local ansatz. Comparisons are made with the local-density approximation (LDA) results, and the…
The direct magnetoelectric (ME) effect resulting from the polarization changes induced in a ferroelectric film by the application of a magnetic field to a ferromagnetic substrate is described using the nonlinear thermodynamic theory. It is…
Ab-initio correlation results for an idealized high Tc-compound are compared to density functional (DF) calculations for the same system. It is shown that and why the DF-charge distribution is wrong. The largest deficiency arises for the…
We propose a simple and accurate model for the electron static structure factors (and corresponding pair-correlation functions) of the 3D unpolarized homogeneous electron gas. Our spin-resolved pair-correlation function is built up with a…
The electrocaloric effect refers to the temperature change in a material when an electric field is applied or removed. Significant breakthroughs revealed its potential for solid-state cooling technologies in past decades. These devices…
A method is proposed for the inclusion of electron correlation in the calculation of the temperature dependence of band structures arising from electron-phonon coupling. It relies on an efficient exploration of the vibrational phase space…