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Mott insulators with both spin and orbital degeneracy are pertinent to a large number of transition metal oxides. The intertwined spin and orbital fluctuations can lead to rather exotic phases such as quantum spin-orbital liquids. Here we…
Based on the refined crystal structure comprised of columns of 3*4 planar blocks of NbO6 octahedra and first principles electronic structure methods, we find that orthorhombic (o)-Nb$_{12}$O$_{29}$ introduces a new class of transition metal…
We present first principles density functional calculations and downfolding studies of the electronic and magnetic properties of the layered quantum spin system TiOCl. We discuss explicitely the nature of the exchange pathes and attempt to…
In ruthenate materials, non-Fermi liquid (NFL) phases have been observed. We used the natural orbitals renormalization group (NORG) method as an impurity solver for dynamical mean-field theory (DMFT) to study a three-orbital…
The vibrational modes in Sr$_2$RuO$_4$ easily induce octahedral rotations without tilting. Being on the verge of a magnetic instability, such propensity of octahedral rotation may also produce magnetic fluctuations. In this work, we analyze…
The alkali-doped fullerides A$_3$C$_{60}$ are half-filled three-orbital Hubbard systems which exhibit an unconventional superconducting phase next to a Mott insulator. While the pairing is understood to arise from an effectively negative…
One of the distinguishing features of an altermagnet is that its spin-up and spin-down bands display a nodal momentum-dependent splitting even in the absence of spin-orbit coupling. While this property has been investigated in many…
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…
In order to study the interplay between localized and dispersive orbital states in a system of ultracold atoms in an optical lattice, we investigate the possibility to coherently couple the lowest two Bloch bands by means of resonant…
In this review we present results of our theoretical study of charge and spin ordering in strongly correlated electron systems obtained within various generalizations of the Falicov-Kimball model. The primary goal of this study was to…
In Mott materials strong electron correlation yields a spectrum of complex electronic structures. Recent synthesis advancements open realistic opportunities for harnessing Mott physics to design transformative devices. However, a major…
Flat electronic bands, which amplify electron correlations by quenching kinetic energy, provide an ideal foundation for exotic quantum phases. However, prevailing strategies -- including geometrically frustrated lattices, moire…
Spin-band splitting is a hallmark of altermagnetism, intrinsically linked to magnetic ordering driven by electron correlations. However, recent inconsistencies in the detection of altermagnetism in strongly correlated altermagnet candidates…
$\gamma$-triclinic and $\alpha$-monoclinic polymorphs of CoV$_{2}$O$_{6}$ are two of the few known transition metal ion based materials that display stepped $1/3$ magnetization plateaus at low temperatures. Neutron diffraction [M. Markkula…
We examine whether the Mott transition of a half-filled, two-orbital Hubbard model with unequal bandwidths occurs simultaneously for both bands or whether it is a two-stage process in which the orbital with narrower bandwith localizes first…
CoO has an odd number of electrons in its unit cell, and therefore is expected to be metallic. Yet, CoO is strongly insulating owing to significant electronic correlations, thus classifying it as a Mott insulator. We investigate the…
We address the technologically important issue of the spin orientation on a correlated magnetic surface and how to manipulate it. We consider a prototypical strongly correlated system, NiO, and show that a single particle approach with…
We study the superconducting state of multi-orbital spin-orbit coupled systems in the presence of an orbitally driven inversion asymmetry assuming that the inter-orbital attraction is the dominant pairing channel. Although the inversion…
We discuss a hopping model of electrons between idealized molecular sites with local orbital degeneracy and dynamical Jahn-Teller effect, for crystal field environments of sufficiently high symmetry. For the Mott-insulating case (one…
In iron pnictides, we find that the moderate electron-phonon interaction due to the Fe-ion oscillation can induce the critical d-orbital fluctuations, without being prohibited by the Coulomb interaction. These fluctuations give rise to the…