Related papers: Structural relaxation due to electronic correlatio…
The influence of structural constraints on the relaxation dynamics of three polyurea networks with varying degree of crosslinking, has been studied by means of a thorough analysis of broadband dielectric spectroscopy measurements. Two…
We study the effect of the electron-electron interaction on the weak localization correction of a ring pierced by a magnetic flux. We compute exactly the path integral giving the magnetoconductivity for an isolated ring. The results are…
It is shown that the layered antiferromagnetic order in stoechiometric LaMnO_3 cannot be understood purely from electronic interactions. On the contrary, it mainly results from strong cooperative Jahn-Teller deformations. Those involve a…
A non-trivial balance between Coulomb repulsion and kinematic effects determines the electronic structure of correlated electron materials. The use electromagnetic fields strong enough to rival these native microscopic interactions allows…
Using density functional theory combined with a Hubbard model (DFT+U ), the electronic band structure of CrI3 multilayers, both free-standing and enclosed between graphene contacts, is calculated. We show that the DFT+U approach, together…
The concept of electronic correlations plays an important role in modern condensed matter physics. It refers to interaction effects which cannot be explained within a static mean-field picture as provided by Hartree-Fock theory. Electronic…
The 3d electronic structure and phase transition in pure and Cr doped V2O3 are theoretically investigated in relation to the 3d spin-orbit interaction and lattice distortion. A model consisting of the nearest-neighbor V ion pair with full…
We analyze a model problem representing a multi-electronic molecule sitting on a metal surface. Working with a reduced configuration interaction Hamiltonian, we show that one can extract very accurate ground state wavefunctions as compared…
In this paper we study the low temperature kinetics of the electrons in the system composed of a quantum dot connected to two leads by solving the equation of motion. The decoherence and the relaxation of the system caused by the gate…
We use first principles density functional theory to calculate electronic and magnetic properties of TiF3 using the full potential linearized augmented plane wave method. The LDA approximation predicts a fully saturated ferromagnetic metal…
We review theoretical concepts and models for materials with strongly correlated d- or f electrons. We discuss low-energy effective models and the renormalized band method for Ce-based Kondo lattice systems. They are applied to the analysis…
The structural relaxations of a dense, binary mixture of charged hard spheres are studied using the Mode Coupling Theory (MCT). Qualitative differences to non--ionic systems are shown to result from the long--range Coulomb interaction and…
We report calculation of the energy spectrum and the spectroscopic properties of the superheavy element ion: Rf^+. We use the 4-component relativistic Dirac-Coulomb Hamiltonian and the multireference configuration interaction (MRCI) model…
We analyze theoretically the demagnetization dynamics in a ferromagnetic model system due to the interplay of spin-orbit coupling and electron-electron Coulomb scattering. We compute the $k$-resolved electronic reduced spin-density matrix…
Relaxation of conduction electron spins in a semiconductor owing to the hyperfine interaction with spin-1/2 nuclei, in zero applied magnetic field, is investigated. We calculate the electron spin relaxation time scales, in order to evaluate…
We study the magnetic, structural, and electronic properties of the recently discovered iron- based superconductor BaFe2S3 based on density functional theory with the generalized gradient approximation. The calculations show that the…
The intrinsic geometric degree of freedom that was proposed to determine the optimal correlation energy of the fractional quantum Hall states, is analyzed for quantum confined planar electron systems. One major advantage in this case is…
It is demonstrated theoretically that the strong interaction between electrons in periodical structures and a high-frequency electromagnetic field suppresses the Bragg reflection of the electrons. As a result, the band gaps in electron…
The low-frequency vibrational spectrum of an isolated nanometer-scale solid differs dramatically from that of a bulk crystal, causing the decay of a localized electronic state by phonon emission to be inhibited. We show, however, that an…
The electronic structure of quasi-one-dimensional superconductor K$_2$Cr$_3$As$_3$ is studied through systematic first-principles calculations. The ground state of K$_2$Cr$_3$As$_3$ is paramagnetic but very close to a ferromagnetic…