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The electronic structure and magnetic properties of CaCr$\mathrm{O}_3$ have been calculated by two methods, including hybrid-exchange density-function theory and density-functional theory + $U$. The computed densities of states from both of…
We report results of a multi-frequency (0.8-60 GHz) electron spin resonance study of the spin dynamics in the quasi-2D square lattice antiferromagnet Ba$_2$MnGe$_2$O$_7$ both in antiferromagnetically ordered and paramagnetic phases. We…
Distortions of the oxygen octahedra influence the fundamental electronic structure of perovskite oxides, such as their bandwidth and exchange interactions. Utilizing a fully ab-initio methodology based on density functional theory plus…
We present comprehensive high magnetic field studies of the alternating weakly coupled ferro-antiferromagnetic (FM-AFM) spin-$1/2$ chain compound Cu$_2$(OH)$_3$Br, with the structure of the natural mineral botallackite. Our measurements…
We investigate theoretically the magnetic dynamics in a ferroelectric/ferromagnetic heterostructure coupled via strain-mediated magnetoelectric interaction. We predict an electric field-induced magnetic switching in the plane perpendicular…
We shed light on the interplay between structure and many-body effects relevant for itinerant ferromagnetism in LaAlO$_3$/SrTiO$_3$ heterostructures. The realistic correlated electronic structure is studied by means of the (spin-polarized)…
We prepared a powder sample of edwardsite Cd2Cu3(SO4)2(OH)6 4H2O, which is a new candidate compound for the spin-1/2 kagome antiferromagnet, and studied its magnetic properties by magnetic susceptibility and heat capacity measurements.…
The discovery of fascinating ways to control and manipulate antiferromagnetic materials have garnered considerable attention as an attractive platform to explore novel spintronic phenomena and functionalities. Layered antiferromagnets…
The problem of importance of strong correlations for the electronic structure, transport and magnetic properties of half--metallic ferromagnetic CrO_2 is addressed by performing density functional electronic structure calculations in the…
The natural-heterostructure concept realized in delafossites highlights these layered oxides. While metallic, band- or Mott-insulating character may be associated with individual layers, inter-layer coupling still plays a decisive role. We…
Dielectric and magnetic phenomena in spin and charge frustrated system RFe2O4 (R is a rare-earth metal ion) are studied. An electronic model for charge, spin and orbital degrees in a pair of triangular-lattice planes is derived. We analyze…
We present a minimal model that provides a description of the magnetic and thermodynamic properties of \Eu. The model contains two exchange coupling parameters, which are calculated using Density Functional Theory, and a local easy axis…
We present a systematic study of the anisotropic spin-1/2 Heisenberg model in staggered magnetic fields in two dimensions (2D). To mimic real materials, we consider a system of coupled, antiferromagnetic chains, whose interchain interaction…
Frustrated magnets with highly degenerate ground states are at the heart of hunting exotic states of matter. Recent studies in spin-orbit coupled honeycomb magnets have generated immense interest in bond-dependent interactions, appreciating…
We successfully synthesize single crystals of the verdazyl radical $\alpha$-2,3,5-Cl$_3$-V. $Ab$ $initio$ molecular orbital calculations indicate that the two dominant antiferromagnetic interactions, $J_{\rm{1}}$ and $J_{\rm{2}}$ ($\alpha…
The magnetic phase diagram and low-energy magnon excitations of structurally and magnetically chiral MnSb2O6 are reported. The specific heat and the static magnetization are investigated in magnetic fields up to 9 and 30 T, respectively,…
Hexagonal LuFe2O4 is a promising charge-order (CO) driven multiferroic material with high charge and spin ordering temperatures. The coexisting charge and spin orders on Fe3+/Fe2+ sites result in novel magnetoelectric behaviors, but the…
Kagome antiferromagnets are known to be highly frustrated and degenerate when they possess simple, isotropic interactions. We consider the entire class of these magnets when their interactions are spatially anisotropic. We do so by…
We report a detailed investigation of the magnetic order in 192 stable magnetic two-dimensional materials from the Computational 2D Materials Database having one magnetic atom in the unit cell. The calculations are based on a systematic…
The Penrose tiling is a perfectly ordered two dimensional structure with fivefold symmetry and scale invariance under site decimation. Quantum spin models on such a system can be expected to differ significantly from more conventional…