Related papers: Magnetic Couplings in Edge-Sharing High-Spin $d^7$…

We report magnetization measurements, full-potential band structure calculations, and microscopic modeling for the spin-1/2 Heisenberg magnets A2CuP2O7 (A = Na, Li). Based on a quantitative evaluation of the leading exchange integrals and…

Bond-dependent magnetic interactions, particularly those described by the Kitaev model, have emerged as a key pathway toward realizing unconventional magnetic states such as quantum spin liquids and topologically nontrivial excitations,…

A joint theoretical approach, combining macroscopic symmetry analysis with microscopic methods (density functional theory and model cluster Hamiltonian), is employed to shed light on magnetoelectricity in Ba2CoGe2O7. We show that the…

We introduce and investigate an effective five-band model for $t_{2g}$ and $e_g$ electrons to describe doped cobalt oxides with Co$^{3+}$ and Co$^{4+}$ ions in two-dimensional CoO$_2$ triangular lattice layers, as in Na$_{1-x}$CoO$_2$. The…

The spin-1/2 alternating Heisenberg chain system Na$_3$Cu$_2$SbO$_6$ features two relevant exchange couplings: $J_{1a}$ within the structural Cu$_2$O$_6$ dimers and $J_{1b}$ between the dimers. Motivated by the controversially discussed…

In the ongoing research on two-dimensional (2D) ferromagnetic materials with strong intrinsic Dzyaloshinskii--Moriya interaction (DMI), most efforts have focused on doping, Janus engineering, or heterostructure formation to break inversion…

Co$^{2+}$ ions in an octahedral crystal field, stabilise a j$_{eff}$ = 1/2 ground state with an orbital degree of freedom and have been recently put forward for realising Kitaev interactions, a prediction we have tested by investigating…

Magnetism in recently discovered van der Waals materials has opened new avenues in the study of fundamental spin interactions in truly two-dimensions. A paramount question is what effect higher-order interactions beyond bilinear Heisenberg…

$\gamma$-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…

Hard magnets with high coercivity, such as Nd2Fe14B and SmCo5 alloys, can maintain magnetisation under a high reverse external magnetic field and have therefore become irreplaceable parts in many practical applications. Molecular magnets…

The Kitaev interaction, found in candidate materials such as $\alpha$-RuCl$_3$, occurs through the metal ($M$)-ligand ($X$)-metal ($M$) paths of the edge-sharing octahedra because the large spin-orbit coupling (SOC) on the metal atoms…

We show how strongly correlated ultracold bosonic atoms loaded in specific orbital angular momentum states of arrays of cylindrically symmetric potentials can realize a variety of spin-1/2 models of quantum magnetism. We consider explicitly…

Several realistic spin-orbital models for transition metal oxides go beyond the classical expectations and could be understood only by employing the quantum entanglement. Experiments on these materials confirm that spin-orbital entanglement…

The exactly solvable Kitaev model on the honeycomb lattice has recently received enormous attention linked to the hope of achieving novel spin-liquid states with fractionalized Majorana-like excitations. In this review, we analyze the…

Magnetic anisotropy slows down magnetic relaxation and plays a prominent role in the design of permanent magnets. Coordination compounds of Co(II) in particular exhibit large magnetic anisotropy in the presence of low-coordination…

We put forward a scheme to study the anisotropic magnetic couplings in Sr2IrO4 by mapping fully relativistic constrained noncollinear density functional theory including an on-site Hubbard U correction onto a general spin model Hamiltonian.…

Using ab initio wave-function-based calculations, we provide valuable insights with regard to the magnetic exchange in 5$d$ and 4$d$ oxides with face-sharing ligand octahedra, BaIrO$_3$ and BaRhO$_3$. Surprisingly strong antiferromagnetic…

We consider layered decorated honeycomb lattices at two-thirds filling, as realized in some trinuclear organometallic complexes. Localized $S=1$ moments with a single-spin anisotropy emerge from the interplay of Coulomb repulsion and spin…

We study a Heisenberg chain with nearest-neighbor (NN) J1 and next-NN J2 exchange interactions with anisotropies Delta_1 and Delta_2 respectively. We investigate by analytical and numerical methods the region of parameters for which there…

We present a detailed study of the electronic and magnetic interactions of Ba2CoO4, structurally very uncommon because of the isolated CoO4 distorted tetrahedral coordination. We show the presence of Co(d)-O(p) hybridized states…