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We present an ab initio method for eletcronic structure calculations, which accounts for the interaction of electrons and magnons in ferromagnets. While it is based on a many body perturbation theory we approximate numerically complex…
We examine finite-temperature phase transitions in the two-orbital Hubbard model with different bandwidths by means of the dynamical mean-field theory combined with the continuous-time quantum Monte Carlo method. It is found that there…
The vicinity of a Mott insulating phase has constantly been a fertile ground for finding exotic quantum states, most notably the high Tc cuprates and colossal magnetoresistance manganites. The layered transition metal dichalcogenide 1T-TaS2…
Magnetism in transition-metal compounds (TMCs) has traditionally been associated with spin degrees of freedom, because the orbital magnetic moments are typically largely quenched. On the other hand, magnetic order in 4f- and 5d-electron…
Mott insulators based on $4d$ and $5d$ transition-metal ions, where spin-orbit interaction plays a key role, can exhibit various forms of unusual magnetism. A particular example is the antiferromagnet Ca$_2$RuO$_4$ containing $d^4$…
The current work presents a natural orbital functional (NOF) for electronic systems with any spin value independent of the external potential being considered, that is, a global NOF (GNOF). It is based on a new two-index reconstruction of…
We introduce the notion of superstructure Mottness to describe the Mott and Wigner-Mott transition in doped strongly correlated electron systems at commensurate filling fractions away from one electron per site. We show that superstructure…
Antiferromagnets have large potential for ultrafast coherent switching of magnetic order with minimum heat dissipation. In novel materials such as Mn$_2$Au and CuMnAs, electric rather than magnetic fields may control antiferromagnetic order…
Strong correlation effects, which are often associated to the approach to a Mott insulating state, in some cases may be observed even far from half-filling. This typically happens whenever the inter-site Coulomb repulsion induces a tendency…
We describe a variational theory of multi-band two-dimensional electron gases that captures the interplay between electrostatic confining potentials, orbital-dependent interlayer electronic hopping and electron-electron interactions, and…
Stabilization of unusual spin-orbit driven magnetic orderings are achieved for chains of Mn atoms deposited on a W(110) substrate. First-principles electronic structure calculations show that the ground state spin configuration is…
The interactions between $e_g$ orbitals in neighboring sites are investigated in LaMnO$_3$ by taking into account virtual exchange of electrons and phonons. The spin and orbital ordering temperatures and the spin wave dispersion relation…
The layered molecular conductors $\kappa$-(BEDT-TTF)$_2$X are a perfect experimental platform for studying the physics of the Mott transition and related exotic electronic states. In these materials, the subtle balance between various…
Mesoscopic fluctuations and correlations of the local density of states are studied near metal-insulator transitions in disordered interacting electronic systems. We show that the multifractal behavior of the local density of states…
In this work, we investigate collective electronic fluctuations and, in particular, the possibility of the charge density wave ordering in an infinite-layer NdNiO$_2$. We perform advanced many-body calculations for the ab-initio…
While current-induced bistate spin-orbit torque (SOT) switching has been well established, deterministic electrical control of multiple magnetic states remains a central challenge in spintronics. Here, we realize a conceptually new…
We investigate the effect of the experimentally observed Jahn-Teller distortion of the oxygen octahedra in LaTiO3 on the magnetic exchange. We present a localized model for the effective hopping between nearest-neighbor Ti ions and the…
We review recent theoretical developments about the role of spins, electron-electron interactions, and spin-orbit coupling in metal nanoparticles and semiconductor quantum dots. For a closed system, in the absence of spin-orbit coupling or…
Competition and cooperation between electron correlation and relativistic spin-orbit coupling give rise to diverse exotic quantum phenomena in solids. An illustrative example is spin-orbit entangled quantum liquids, which exhibit remarkable…
Magnetic topological insulators host exotic phenomena such as the quantum anomalous Hall effect and quantized magnetoelectric responses, but dynamic electrical control of their topological phases remains elusive. Here we demonstrate from…