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Alkali superoxides differ from conventional transition metal magnets, exhibit magnetism from partially occupied oxygen molecular $\pi^*$-orbitals. Among them, CsO$_2$ stands out for its potential to exhibit novel quantum collective…
With the purpose of investigating coexistence between magnetic order and superconductivity, we consider a model in which conduction electrons interact with each other, via an attractive Hubbard on-site coupling $U$, and with local moments…
Odd-parity magnetic and magnetic toroidal multipoles in the absence of both spatial-inversion and time-reversal symmetries are sources of multiferroic and nonreciprocal optical phenomena. We investigate electronic states caused by an…
We explore the ground-state properties of the two-band Hubbard model with degenerate electronic bands, parametrized by nearest-neighbor hopping $t$, intra- and inter-orbital on-site Coulomb repulsions $U$ and $U^\prime$, and Hund coupling…
There have been several proposals for platforms sustaining topological superconductivity in high temperature superconductors, in order to make use of the larger superconducting gap and the expected robustness of Majorana zero modes towards…
In order to clarify the mechanism associated with pressure/magnetic-field-induced giant ferroelectric polarization in TbMnO3, this work investigated changes in magnetic ordering brought about by variations in temperature, magnetic field,…
The family of molecular conductors TMTTF/TMTSF-X demonstrates almost all known electronic phases in parallel with a set of weak structural modifications of anion ordering and mysterious structureless transitions. Only in early 2000's their…
We report our theoretical predictions on the linear magnetoelectric (ME) effects originating from odd-parity multipoles associated with spontaneous spin and orbital ordering on a diamond structure. We derive a two-orbital model for $d$…
The cubic lattice symmetry of ferromagnetic homogeneously disordered alloys is when a compositional modulation is imposed. This can have a profound influence on the magnetocrystalline anisotropy energy (MAE). We describe our ab-initio…
We studied the ferroelectricity of magnetic oxides in which its emergence coincides with the onset of a second incommensurate magnetic order. We solved for the wave function of e_{g} electrons in the presence of magnetic orders. The…
We introduce the concept of \emph{orbital altermagnetism}, a symmetry-protected magnetic order of pure orbital degrees of freedom. It is characterized with ordered anti-parallel orbital magnetic moments in real space but momentum-dependent…
We develop a comprehensive theory for magnetoelectricity in magnetically ordered quasi-2D systems whereby in thermal equilibrium an electric field can induce a magnetization $m$ and a magnetic field can induce a polarization. This effect…
We study the classical version of the 120-degree model. This is an attractive nearest-neighbor system in three dimensions with XY (rotor) spins and interaction such that only a particular projection of the spins gets coupled in each…
The synergy between real and reciprocal space topology is anticipated to yield a diverse array of topological properties in quantum materials. We address this pursuit by achieving topologically safeguarded magnetic order in novel Weyl…
Ensembles of gold nanoparticles present a magnetic behavior which is at odds with the weakly diamagnetic response of bulk gold. In particular, an unusual ferromagnetic order has been unveiled by several experiments. Here we investigate if…
The role of the multiorbital effects on the emergence of frustrated electronic orders on the triangular lattice at half filling is investigated through an extended spinless fermion Hubbard model. By using two complementary approaches,…
We present our theoretical results on the mechanism of two transitions in vanadium spinel oxides $A$V$_2$O$_4$ ($A$=Zn, Mg, or Cd) in which magnetic V cations constitute a geometrically-frustrated pyrochlore structure. We have derived an…
The development of sensible microscopic models is essential to elucidate the normal-state and superconducting properties of the iron-based superconductors. Because these materials are mostly metallic, a good starting point is an effective…
Nodal-line semimetals with magnetic orders have been theoretically predicted and experimentally observed in only few compounds. We theoretically explore the electronic structure in bulk and boundary of such a magnetic nodal-line state by…
The interplay between strong electron correlation and band topology is at the forefront of condensed matter research. As a direct consequence of correlation, magnetism enriches topological phases and also has promising functional…