Related papers: Strong electron correlations in cobalt valence tau…
Iridates provide a fertile ground to investigate correlated electrons in the presence of strong spin-orbit coupling. Bringing these systems to the proximity of a metal-insulator quantum phase transition is a challenge that must be met to…
We consider small angle and large impact parameter high energy scattering of colourless states in SYM using the AdS/CFT correspondence. The gauge theory scattering amplitude is linked with a correlation function of tilted Wilson loops,…
Magnetic properties of the Co valence tautomers are considered in wide range of magnetic field and temperature. Particularly, a model of the first order structural phase transition accompanied by a magnetic moment jump is proposed. The…
We present a study of the static magnetic properties and spin dynamics in Cobalt valence tautomers (VT), molecules where a low-spin (LS) to high-spin (HS) crossover driven by an intramolecular electron transfer can be controlled by the…
The correlated electronic structure of iron, cobalt and nickel is investigated within the dynamical mean-field theory formalism, using the newly developed full-potential LMTO-based LDA+DMFT code. Detailed analysis of the calculated electron…
Here, we study the thermoelectric properties of topological semimetal CoSi in the temperature range $300-800$ K by using combined experimental and density functional theory (DFT) based methods. CoSi is synthesized using arc melting…
We investigate the electronic structure of highly conducting perovskite SrMoO$_{3}$ using valence band photoemission spectroscopy and electronic structure calculations. Large intensity corresponding to coherent feature close to Fermi level…
Density functional theory (DFT) embedding provides a formally exact framework for interfacing correlated wave-function theory (WFT) methods with lower-level descriptions of electronic structure. Here, we report techniques to improve the…
We present a combined density functional theory (DFT), one-step model of photoemission, and soft x-ray angle-resolved photoemission spectroscopy (SX-ARPES) study of the electronic structure of the quaternary borocarbide superconductor…
We consider single band of conduction electrons interacting with displacements of the transitional ions.In the classical regime strong coupling transforms the harmonic elastic energy for an ion to the one of the well with two deep minima,so…
In contrast to the original Kohn-Sham (KS) formalism, we propose a density functional theory (DFT) with fractional orbital occupations for the study of ground states of many-electron systems, wherein strong static correlation is shown to be…
Polariton emission from optical cavities integrated with various luminophores has been extensively studied recently due to the wide variety of possible applications in photonics, particularly promising in terms of fabrication of…
The possibility of the strong electron-electron interaction driven insulating phase from the metallic phase in two-dimensions has been suggested for clean systems without intentional disorder, but its rigorous demonstration is still…
Electron transfer coupled to a collective vibronic degree of freedom is studied in strongly condensed phase and at lower temperatures where quantum fluctuations are essential. Based on an exact representation of the reduced density matrix…
Motivated by recent studies which show that topological phases may emerge in strongly correlated electron systems, we theoretically study the strong electron correlation effect in a three-dimensional topological insulator, which effective…
The influence of Coulomb correlation on magnetic and spectral properties in metallic rutile phase of vanadium dioxide is studied by state of the art LDA+DMFT method. Calculation results in strongly correlated metallic state with an…
We present a comprehensive study of synthesis, structure analysis, transport and thermodynamic properties of the C14 Laves phase Ta(Fe1-xVx)2. Our measurements confirm the appearance of spin-density wave (SDW) order within a dome-like…
The material KNi$_2$Se$_2$ has recently been shown to possess a number of striking physical properties, many of which are apparently related to the mixed valency of this system, in which there is on average one quasi-localized electron per…
An atomic-orbital basis set framework is presented for carrying out velocity- gauge real-time time-dependent density functional theory (TDDFT) simulations in periodic systems employing range-separated hybrid functionals. Linear optical…
Under temperature or pressure tuning, tetragonal EuPd$_2$Si$_2$ is known to undergo a valence transition from nearly divalent to nearly trivalent Eu accompanied by a volume reduction. Albeit intensive work, its microscopic origin is still…