Related papers: Multipolar exchange interaction and complex order …
We derive a spin-orbital Hamiltonian for a triangular lattice of e_g orbital degenerate (Ni^{3+}) transition metal ions interacting via 90 degree superexchange involving (O^{2-}) anions, taking into account the on-site Coulomb interactions…
Magnetic order in most materials occurs when magnetic ions with finite moments in a crystalline lattice arrange in a particular pattern below the ordering temperature determined by exchange interactions between the ions. However, when the…
By means of ab initio calculations based on the density functional theory we investigated magnetic phase diagram of ordered FePd$_3$ alloy as a function of external pressure. Considering several magnetic configurations we concluded that the…
We analyze possible ways to calculate magnetic exchange interactions within the density functional theory plus dynamical mean-field theory (DFT+DMFT) approach in the paramagnetic phase. Using the susceptibilities obtained within the ladder…
The Lieb lattice, originally proposed for cuprate superconductors, has gained new attention in the emerging field of altermagnetism as a minimal analytical model for the latter. While initially the so-called inverse Lieb lattice (ILL) was…
Despite more than half a century of studies in heavy-fermion compounds, a full understanding of the various possible magnetic ordering phenomena is still far from complete. Some heavy-fermion materials show so-called hidden-order phases,…
We investigate microscopic aspects of multipole ordering in f-electron systems with emphasis on the effect of lattice structure. For the purpose, first we construct f-electron models on three kinds of lattices, simple cubic (sc), bcc, and…
Estimates of the exchange interaction parameter (J) between electronic magnetic momenta residing in the d-shells of several divalent first row transition metal ions, and those residing on the [TCNE]$^-$. anion-radicals (TCNE =…
We present a first-principles investigation of magnetic exchange interactions and critical behavior in (111)-oriented (LaMnO$_3$)$_{2n}$|(SrMnO$_3$)$_n$ superlattices for $n=2,4,6$. For all superlattices under investigation, we find robust…
A spin-orbital superexchange Hamiltonian in a Mott insulator with $t_{2g}$ orbital degeneracy is investigated. More specifically, we focus on a spin ferromagnetic state of the model and study a collective behavior of orbital angular…
Evidence for multiple magnetic transitions and unconventional spin exchange interactions in the ilmenite insulator MnTiO3 is provided via neutron scattering. On cooling, while G-type antiferromagnetic (AFM) order sets in first at 63 K with…
The formalism of composite and intertwined orders has been remarkably successful in discussing the complex phase diagrams of strongly correlated materials and high-$T_c$ superconductors. Here, we propose that composite orders are also…
The cooperation of electronic correlation and spin-orbit coupling can stabilize magnetic topological insulators which host novel quantum phenomena such as the quantum anomalous Hall state also known as Chern insulator (CI). Here, we…
We review the cubic rare-earth boride series which displays diverse electronic states like localized 4f electron multiplets split by the crystal electric field (CEF), itinerant heavy-fermion quasiparticle bands of the Kondo lattice as well…
We explain a profound complexity of magnetic interactions of some technologically relevant gadolinium intermetallics using an ab-initio electronic structure theory which includes disordered local moments and strong $f$-electron…
A simple effective model of charge ordered and (or) magnetically ordered insulators is studied. The tight binding Hamiltonian analyzed consists of (i) the effective on-site interaction U, (ii) the intersite density-density interaction W and…
We show by extensive Monte Carlo simulations that we need a multi-spin interaction in addition to pairwise interactions in order to reproduce the temperature dependence of the experimental magnetization observed in the perovskite compound…
Multiferroics, where two or more ferroic order parameters coexist, is one of the hottest fields in condensed matter physics and materials science[1-9]. However, the coexistence of magnetism and conventional ferroelectricity is physically…
Quantum magnets with spin $J=2$, which arise in spin-orbit coupled Mott insulators, can potentially display multipolar orders. We carry out an exact diagonalization study of a simple octahedral crystal field Hamiltonian for two electrons,…
Lanthanide-based single-ion magnetic molecules can have large magnetic hyperfine interactions as well as large magnetic anisotropy. Recent experimental studies reported tunability of these properties by changes of chemical environments or…