相关论文: Dynamical correlation enhanced orbital magnetizati…
Dynamical mean-field theory (DMFT) is a non-perturbative technique for the investigation of correlated electron systems. Its combination with the local density approximation (LDA) has recently led to a material-specific computational scheme…
Using density functional plus dynamical mean-field theory method (DFT+DMFT) with full self-consistency over the charge density, we study the effect of electronic correlations on the electronic structure, magnetic properties,…
Two complementary effects modify the GHz magnetization dynamics of nanoscale heterostructures of ferromagnetic and normal materials relative to those of the isolated magnetic constituents: On the one hand, a time-dependent ferromagnetic…
The effects of electron-electron correlations on the low-energy electronic structure and their relationship with unconventional superconductivity are central aspects in the research on the iron-based pnictide superconductors. Here we use…
In this paper we investigate the intercalation effects of Iron (Fe) in the van der Waals gap of Bi$_2$Se$_3$ on the magnetic and transport properties using first-principles band structure estimations combined using dynamical mean-field…
Layered van der Waals ferromagnets, which preserve their magnetic properties down to exfoliated monolayers, are fueling an abundance of fundamental research and nanoscale device demonstration. CrGeTe$_3$ is a prime example for this class of…
We deduce a model relevant for the description of the ferromagnetic half-metal Chromium dioxide ($CrO_{2}$), widely used in magnetic recording technology. The model describes the effect of dynamical, local orbital correlations arising from…
The effects of electronic correlations and orbital degeneracy on thermoelectric properties are studied within the context of multi-orbital Hubbard models on different lattices. We use dynamical mean field theory with iterative perturbation…
The electronic structure of Co/Cu(001) and Fe/Cr(001) magnetic multilayers has been investigated within the local density approximation combined with dynamical mean field theory. Our calculation shows enhanced density of states at the Fermi…
Using a combination of density functional theory and dynamical mean field theory we show that electric polarization and magnetism are strongly intertwined in (TMTTF)$_2$-$X$ (X$=$PF$_6$, As$F_6$, and SbF$_6$) organic crystals and they…
Aiming at increasing the ferroelectric polarization in AFM-E ortho-\hmo, we investigate the in-plane strain effects on both the magnetic configuration and the polarization by means of density functional theory calculations and model…
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…
Electron-doped high-Tc FeSe reportedly has a strong electron correlation that is enhanced with doping. It has been noticed that significant electric fields exist inevitably between FeSe and external donors along with electron transfer.…
In the present communication the Bayesian conditional probability approach is applied to the wave function of a many-electron system that results in appearance of a quantum vector potential in the DFT Schrodinger equation due to electron…
We present 3D simulations of semirelativistic collisionless magnetic reconnection, where upstream ions are subrelativistic while electrons are ultrarelativistic. We employ the realistic proton-to-electron mass ratio and explore a range of…
A spin angular gradient approximation for the exchange correlation magnetic field in the density functional formalism is proposed. The usage of such corrections leads to a consistent spin dynamical approach beyond the local approximation.…
Ferromagnetic Weyl semi-metals exhibit an anomalous Hall effect, a consequence of their topological properties. In the non-interacting case, the derivative of the orbital magnetization with respect to chemical potential is proportional to…
A dynamic response to a magnetic field of a chain of connected mesoscopic rings is considered. We show that the low frequency behavior corresponds to localization of the elctrons along the chain and to diamagnetic dynamic currents inside…
The investigation of a sizable thermal enhancement of magnetization is put forward for uniaxial ferromagnetic nanoparticles that are placed in a rotating magnetic field. We elucidate the nature of this phenomenon and evaluate the resonant…
We extend results of [Liu et al. Proc. Roy. Soc. Lond. A 469, 20130240, 2013] on artificial magneto-electric coupling and magnetism in moderate contrast dielectric layered media via high-order homogenization to the three-dimensional…