Related papers: Block orbital-selective Mott insulators: a spin ex…
Motivated by recent Raman and resonant inelastic X-ray scattering experiments performed for Mott insulators, which suggest formation of excitons in these systems, we present a theory of exciton formation in the upper Hubbard band. The…
Motivated by recent experiments on the quantum-spin-liquid candidate material LiZn2Mo3O8, we study a single-band extended Hubbard model on an anisotropic Kagome lattice with the 1/6 electron filling. Due to the partial filling of the…
Electronic and magnetic structures of the newly synthesized cobalt oxyselenide La2Co2Se2O3 (structurally similar to the superconducting iron pnictides) are studied through density functional calculations. The obtained results show that this…
Clusters of single spins form the relevant spin entities in the formation of long-range magnetic order in spin cluster Mott insulators. Such type of spin order bears resemblance to molecular crystals, and we therefore may expect a…
Theoretical studies recently predicted the condensation of spin-orbit excitons at momentum $q$=$\pi$ in $t_{2g}^4$ spin-orbit coupled three-orbital Hubbard models at electronic density $n=4$. In parallel, experiments involving iridates with…
Motivated by twisted transition metal dichalcogenides (TMDs), we study an extended Hubbard model with both on-site and off-site repulsive interactions, in which Mott insulating states with concomitant charge order occur at fractional…
The electron's kinetic energy plays a pivotal role in magnetism. While virtual electron hopping promotes antiferromagnetism in an insulator, the real process usually favors ferromagnetism. But in kinetically frustrated systems, such as hole…
Quantum orbital selective Mott (OSM) transitions are investigated within dynamical mean-field theory based on a two-orbital Hubbard model with different bandwidth at half filling. We find two distinct OSM phases both showing coexistence of…
We study a three-orbital Hubbard-Kanamori model relevant for iron-based superconductors using variational wave functions explicitly including spatial correlations and electron pairing. We span the nonmagnetic sector from filling $n=4$,…
The real part of optical conductivity $\text{Re}\sigma(\omega)$ of the Mott insulators has a large amount of information on how spin and charge degrees of freedom interact with each other. By using the time-dependent density-matrix…
Based on a generalized one-band Hubbard model, we study magnetic properties of Mott insulating states for ultracold spin-3/2 fermionic atoms in optical lattices. When the \textit{s}-wave scattering lengths for the total spin $S=2,0$ satisfy…
In Mott insulators with a half-filled $t_{2g}$ shell the Hund's rule coupling induces a spin-3/2 orbital-singlet ground state. The spin-orbit interaction is not expected to qualitatively impact low-energy degrees of freedom in such systems.…
On the basis of the multi-orbital dynamical mean field theory, a three-orbital Hubbard model with a relativistic spin-orbit coupling (SOC) is studied at five electrons per site. The numerical calculations are performed by employing the…
Topological Kondo insulators are strongly correlated materials, where itinerant electrons hybridize with localized spins giving rise to a topologically non-trivial band structure. Here we use non-perturbative bosonization and…
Competing interactions in Quantum Materials induce novel states of matter such as frustrated magnets, an extensive field of research both from the theoretical and experimental perspectives. Here, we show that competing energy scales present…
The recent advances in angle resolved photoemission techniques allowed the unambiguous experimental confirmation of spin charge decoupling in quasi one dimensional (1D) Mott insulators. This opportunity stimulates a quantitative analysis of…
Novel phases of two dimensional electron systems resulting from new surface or interface modified electronic structures have generated significant interest in material science. We utilize photoemission spectroscopy to show that the…
Spin-orbit entangled magnetic dipoles, often referred to as pseudospins, provide a new avenue to explore novel magnetism inconceivable in the weak spin-orbit coupling limit, but the nature of their low-energy interactions remains to be…
The physical nature of doped Mott-insulator has been intensively studied for more than three decades. It is well known that the single band Hubbard model or $t$-$J$ model on the bipartite lattice is the simplest model to describe a doped…
We study the structural, electronic and vibrational properties of single-layer 1TNbSe$_2$ from first principles. Within the generalized gradient approximation, the 1T polytype is highly unstable with respect to the 2H. The DFT+U method…