Related papers: Magnetic ground state of coupled edge-sharing CuO_…
We perform charge density functional theory plus $U$ calculation of LaMnO$_3$. While all the previous calculations were based on spin density functionals, our result and analysis show that the use of spin-unpolarized charge-only density is…
The structural and magnetic properties of spinel compounds $CoB_2O_4$ (B=Cr,Mn and Fe) are studied using the DFT+U method and generalized gradient approximation (GGA). We concentrate on understanding the trends in the properties of these…
The magnetic anisotropy af a rectangular Cu-O-Cu bond is investigated in second order of the spin-orbit interaction. Such a bond is characteristic for cuprates having edge sharing CuO_2 chains, and exists also in the Cu_3O_4 plane or in…
Understanding the magnetic properties of the various Mn doping configurations that can be encountered in $2H$-MoS$_2$ monolayer could be beneficial for its use in spintronics. Using density functional theory plus Hubbard U (DFT$+$U)…
RuO$_2$ has been regarded as a prototypical candidate for metallic altermagnet, offering a potential platform for high-speed and high-efficiency spintronics. However, the magnetic ground state of RuO$_2$ remains a topic of active debate due…
The effects of interactions in a 2D electron system in a strong magnetic field of two degenerate Landau levels with opposite spins and at filling factors 1/2 are studied. Using the Chern-Simons gauge transformation, the system is mapped to…
We study the ground-state properties of a spin-1/2 model on a chain containing four-spin Ising-like interactions in the presence of both transverse and longitudinal magnetic fields. We use entanglement entropy and finite-size scaling…
The strong corrugation of the V4O9 layer in the spin gap system CaV4O9 is examined for its impact on the exchange coupling constants between the spin 1/2 V ions. Local spin density (LSD) calculations show that the V spin occupies a…
Single-crystal neutron diffraction has been used to determine the incommensurate magnetic structure of NaCu2O2, a compound built up of chains of edge-sharing CuO4 plaquettes. Magnetic structures compatible with the lattice symmetry were…
It turns out that the ground states of some systems are symmetry-broken states in which some property is not symmetrically distributed. In the case of strongly correlated electron systems, that were studied by the DFT+U method, researchers…
A microscopic magnetic model for the spin-1/2 Heisenberg chain compound CuSe2O5 is developed based on the results of a joint experimental and theoretical study. Magnetic susceptibility and specific heat data give evidence for quasi-1D…
We propose a double exchange model to describe the RuO_2 planes of RuSr_2(Eu,Gd)Cu_2O_8. The Ru^+5 ions are described by localized spins, and additional electrons provided by the superconducting CuO_2 planes are coupled ferromagnetically to…
Here we report a study of the spin dynamics in the ferromagnetic chain compound $Li_{2}CuO_{2}$. Inelastic neutron scattering measurements allow for the spin Hamiltonian to be determined using a $J_{1}-J_{2}$ $XXZ$-Heisenberg spin chain…
A spin model of LiCu2O2 compound with ground state of ellipsoidal helical structure has been adopted. Taking into account the interchain coupling and exchange anisotropy, we focus on the magnetoelectric properties in a rotating magnetic…
We have studied the structural, magnetic properties, and electronic structure of the compound InCuPO5 synthesized by solid state reaction method. The structure of InCuPO5 comprises of S = 1/2 uniform spin chains formed by corner-shared CuO4…
Ground state and low-energy excitations of the quasi-one-dimensional antiferromagnet CuSe$_2$O$_5$ were experimentally studied using bulk magnetization, neutron diffraction, muon spin relaxation and antiferromagnetic resonance measurements.…
Type-II multiferroicity, where electric polarization is induced by specific spin patterns, is crucial in fundamental physics and advanced spintronics. However, the spin model and magnetoelectric coupling mechanisms in prototypical type-II…
We investigate the spin structure of many-fermion systems with a spin-conserving two-body random interaction. We find a strong dominance of spin-0 ground states and considerable correlations between energies and wave functions of low-lying…
The spin-one-half Falicov-Kimball model with spin-dependent on-site interaction between localized ($f$) and itinerant ($d$) electrons is studied by small-cluster exact-diagonalization calculations and a well-controlled approximative method…
We have performed a systematic study of the emergence of meta-stable states in density functional theory plus Hubbard U (DFT+U ) simulations of NiO, CoO, FeO. Particular attention is given to the spin-polarization of the…