Related papers: Magnetic ground state of coupled edge-sharing CuO_…

Since Spin Density Functional Theory was first proposed, but also recently, examples were constructed to show that a spin-potential may share its ground state with other spin-potentials. In fact, for collinear magnetic fields and systems…

Spin and charge are two interrelated properties of electrons. However, most of previous works on topological matter study the electronic and magnonic excitations separately. In this paper, by combining density functional theory calculations…

Using spin-density-functional theory, we study the electronic states of a two-dimensional parabolic quantum dot with up to N=58 electrons. We observe a shell structure for the filling of the dot with electrons. Hund's rule determines the…

We present the results of first-principles cluster calculations of the electronic structure of La_2CuO_4. Several clusters containing up to nine copper atoms embedded in a background potential were investigated. Spin-polarized calculations…

The (001) surface of La_{1-x}Ca_xMnO_3 system in various magnetic orderings is studied by first principle calculations. A general occurrence is that z^2 dangling bond charge -- which is ``invisible'' in the formal valence picture -- is…

We study a spin system with both two- and four-spin exchange interactions on the triangular lattice as a possible model for the nuclear magnetism of solid $^3$He layers adsorbed on grafoil. The ground state is analyzed by the use of the…

We provide a quantitative description of the structure of edge states in split-gate quantum wires in the integer quantum Hall regime. We develop an effective numerical approach based on the Green's function technique for the self-consistent…

To clarify a crucial role of a spin-orbit coupling in the emergence of novel spin-orbital states in $5d$-electron compounds such as Sr$_{2}$IrO$_{4}$, we investigate ground state properties of a $t_{\rm 2g}$-orbital Hubbard model on a…

Sr$_2$IrO$_4$ is an extensively studied spin-orbit coupling induced insulator with antiferromagnetic ground state. The delicate balance between competing energy scales plays crucial role for its low temperature phase, and the route of…

We present a first-principles investigation of the structural, electronic, and magnetic properties of the pristine and Fe-doped $\alpha$-MnO$_2$ using density-functional theory with extended Hubbard functionals. The onsite $U$ and intersite…

We report on the crystal structure and magnetic behavior of the spin-1/2 compound AgVOAsO4. Magnetic susceptibility, high-field magnetization, and electron spin resonance measurements identify AgVOAsO4 as a gapped quantum magnet with a spin…

The paper presents a computational study of the ground-state properties of a quantum nanomagnet possessing the shape of a finite two-legged ladder composed of 12 spins $S=1/2$. The system is described with isotropic quantum Heisenberg model…

The magnetic properties and electronic structure of the ground and excited states of two recently characterized endohedral metallo-fullerenes, [Gd$_2$@C$_{78}$]$^{-}$ (1) and [Gd$_2$@C$_{80}$]$^{-}$ (2), have been studied by theoretical…

We report inelastic light scattering experiments in the spin-chain and ladder system Sr_14-xCa_xCu_24O_41. A depletion of an electronic background is observed for 0 < x < 5 at low temperatures and with light polarization both parallel to…

The low-energy magnetic excitation from the highly Ca-doped quasi-one-dimensional magnet SrCa13Cu24O41 was studied in the magnetic ordered state by using inelastic neutron scattering. We observed the gapless spin-wave excitation, dispersive…

The ground-state spin arrangement and the bipartite entanglement within Cu$^{2+}$-Cu$^{2+}$ dimers across the magnetization process of the 4f-3d heterometallic coordination polymer [{Dy(hfac)$_2$(CH$_3$OH)}$_2${Cu(dmg)(Hdmg)}$_2$]$_n$…

We present a first principles LSDA+U study of the magnetic coupling constants in the spinel magnets CoCr_2O_4 and MnCr_2O_4. Our calculated coupling constants highlight the possible importance of AA interactions in spinel systems with…

Material systems that exhibit tunable spin-selective conductivity are key components of spintronic technologies. Here we demonstrate a novel type of spin-selective transport, based on the unusual Landau level (LL) sequence observed in…

In a recent work devoted to the magnetism of Li$_{2}$CuO$_{2}$, Shu et al. [New J. Phys. 19 (2017) 023026] have proposed a "simplified" unfrustrated microscopic model that differs considerably from the models refined through decades of…

We have succeeded in growing large-size single-crystals of Ca$_{2+x}$Y$_{2-x}$Cu$_5$O$_{10}$ with $0 \le x \le 1.67$ and measured the magnetic susceptibility, specific heat and magnetization curve, in order to study the magnetic ground…