Related papers: Magnetic ground state of coupled edge-sharing CuO_…
We study the composition dependent evolution of geometric and magnetic structures of MnO clusters within density functional theory. A systematic and extensive search through the potential energy surface is performed to identify the correct…
The ground states of few electrons confined in two vertically coupled quantum rings in the presence of an external magnetic field are studied systematically within the current spin-density functional theory. Electron-electron interactions…
The effect of anisotropy in the nearest-neighbor spin interactions that couple $N\geq 2$ consecutive spin-1/2 antiferromagnetic chains is studied theoretically by considering the limit where the coupling is purely of the Ising type. An…
Ca$_{3}$Ru$_{2}$O$_{7}$ is a fascinating material that displays physical properties governed by spin-orbit interactions and structural distortions, showing a wide range of remarkable electronic phenomena. Here, we present a…
A systematic comparative study has been performed to better understand DFT$+U$ (density functional theory + $U$) method. We examine the effect of choosing different double counting and exchange-correlation functionals. The calculated energy…
We performed comparative analysis for DFT+$U$ functionals to better understand their applicability to non-collinear magnetism. Taking LiNiPO$_4$ and Sr$_2$IrO$_4$ as examples, we investigated the results out of two formalisms based on…
A combination of small-cluster exact-diagonalization calculations and a well-controlled approximative method is used to study the ground-state phase diagram of the spin-one-half Falicov-Kimball model extended by the spin-dependent on-site…
The electronic structure and magnetism of Sr$_2$CeIrO$_6$, an Ir-based double perovskite system has been investigated using first-principles calculations. We found that a strong spin-orbit coupling dictate the electronic and magnetic…
The electronic structure of the ground and some excited states of neutral atoms with the nuclear charge numbers $1\leq Z \leq 10$ and their single positive ions are investigated by means of our 2D mesh Hartree-Fock method for strong…
The structure and the magnetic properties of layered Li3Cu2SbO6 are investigated by powder X-ray diffraction, static susceptibility, and electron spin resonance studies up to 330 GHz. The XRD data experimentally verify the space group C2/m…
We analyze electronic, magnetic, and structural properties of the spinel compound MgTi$_2$O$_4$ using the local density approximation+U method. We show how MgTi$_2$O$_4$ undergoes to a canted orbital-spin ordered state, where charge, spin…
The electronic structure and magnetic properties of La_{1-x}A_{x}MnO_3 are investigated. It is assumed that, at the outermost layer, the environment of the Mn ions does not have cubic symmetry. The e_g orbitals are split and the double…
The two-dimensional spin-gap system ${\rm SrCu_2(BO_3)_2}$ shows unique physical properties due to the low-dimensionality character and the strong quantum fluctuations. Experimentally, 1/8-, 1/4-, and 1/3-plateaus have been observed in the…
The low-temperature electronic and magnetic properties of NH$_4$V$_2$O$_5$, an isoelectronic analog of the spin-ladder compound $\alpha'$-NaV$_2$O$_5$, are investigated using DFT+$U$ calculations. Two charge-ordering patterns - zigzag and…
We examine the stability of magnetic order in a classical Heisenberg model with quenched random exchange couplings. This system represents the spin degrees of freedom in high-$T_\textrm{c}$ compounds with immobile dopants. Starting from a…
The band structure and magnetotransport of a two-dimensional electron gas (2DEG), in the presence of the Rashba (RSOI) and Dresselhaus (DSOI) terms of the spin-orbit interaction and of a perpendicular magnetic field, is investigated. Exact…
The pairing symmetry of Sr$_2$RuO$_4$ is a long-standing fundamental question in the physics of superconducting materials with strong electronic correlations. We use the functional renormalization group to investigate the behavior of…
Important phenomena such as magnetostriction, magnetocaloric, and magnetoelectric effects arise from, or could be enhanced by, the coupling of magnetic and structural degrees of freedom. The coupling of spin and lattice also influence…
We report a detailed study, using neutron scattering, transport and magnetization measurements, of the interplay between superconducting (SC) and spin density wave (SDW) order in La2CuO(4+y). Both kinds of order set in below the same…
The model of Composite Fermions for describing interacting electrons in two dimensions in the presence of a magnetic field is described. In this model, charged Fermions are combined with an even number of magnetic flux quanta in such a way…