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A microscopic calculation and symmetry argument reveal superconductivity in the vicinity of parity-violating magnetic order. An augmented cluster magnetic multipole order in a crystal lacking local space inversion parity may break global…
We theoretically investigate an antiferromagnetic structure in a hexagonal zigzag-chain compound Ce$_3$TiBi$_5$, which shows a linear magnetoelectric effect in metals and an unfamiliar temperature dependence of magnetic susceptibility. We…
We investigate a generalized multi-orbital tight-binding model on a triangular lattice, a system prevalent in a wide range of two-dimensional materials, and particularly relevant for simulating transition metal dichalcogenide monolayers. We…
Starting from the random phase approximation for the weakly coupled multiband tightly-bounded electron systems, we calculate the dielectric matrix in terms of intraband and interband transitions. The advantages of this representation with…
Beyond conventional electric and magnetic monopoles, electric and magnetic toroidal monopoles, which are rank-0 multipoles distinguished by opposite parities under spatial inversion and time reversal, can exist in nature. The recent…
The coupling between ferroelectrics and magnetism presents a promising avenue for low-dissipation spintronic devices. However, such couplings remain rare, and the direct realization of magnetic order driven by ferroelectric switching in…
Orbitally degenerate systems provide a promising platform for realizing novel quantum phases driven by spin-orbital exchange interactions, as described by the Kugel-Khomskii model. Spinel vanadates, in which orbital degrees of freedom…
In this work we study the two-orbital Hubbard model on a square lattice in the presence of hybridization between nearest-neighbor orbitals and a crystal-field splitting. We use a highly reliable numerical technique based on the density…
The concepts of topology have a profound impact on physics research spanning the fields of condensed matter, photonics and acoustics and predicting topological states that provide unprecedented versatility in routing and control of waves of…
Accurate modeling of transition metal-containing compounds is of great interest due to their wide-ranging and significant applications. These systems present several challenges from an electronic structure perspective, including significant…
Multi-electron giant dipole resonances of atoms in crossed electric and magnetic fields are investigated. Stationary configurations corresponding to a highly symmetric arrangement of the electrons on a decentered circle are derived, and a…
The in-plane anomalous Hall effect occurs when magnetization lies within the same plane as the electric field and Hall current, and requires magnetic point groups lacking rotational or mirror symmetries. While it is observed in both Weyl…
Correlation between orbital structure and magnetic ordering in bilayered manganites is examined. A level separation between the $3d_{3z^2-r^2}$ and $3d_{x^2-y^2}$ orbitals in a Mn ion is calculated in the ionic model for a large number of…
We report the derivation and implementation of orbital optimization algorithms for the active space decomposition (ASD) model, which are extensions of complete active space self-consistent field (CASSCF) and its occupation-restricted…
We study the Kondo effect of a two-orbital vertical quantum dot (QD) coupled to two ferromagnetic leads by employing an equation of motion method. When the ferromagnetic leads are coupled with parallel spin polarization, we find three peaks…
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 propose a new type of Dzyaloshinskii-Moriya (DM) interactions which act on high-rank multipolar moments such as quadrupolar and octupolar moments. Here we consider 5d1 systems with broken spatial inversion symmetry, where the interplay…
We investigate proximity-induced superconductivity in monolayers of transition metal dichalcogenides (TMDs) in the presence of an externally generated exchange field. A variety of superconducting order parameters is found to emerge from the…
We investigate the electronic structure and properties of atoms exposed to a magnetic quadrupole field. The spin-spatial as well as generalized time reversal symmetries are established and shown to lead to a two-fold degeneracy of the…
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,…