Related papers: Long-range magnetic order and spin-lattice couplin…
Delafossite compounds containing rare-earth ions have been proven to be an ideal platform to investigate frustrated magnetic ground states. Here, we discuss two triangular-lattice antiferromagnets, TlErSe$_2$ and TlTmSe$_2$, as potential…
We study the magnetic, structural, and electronic properties of the recently discovered iron- based superconductor BaFe2S3 based on density functional theory with the generalized gradient approximation. The calculations show that the…
The electronic structure of fluorite crystals are studied by means of density functional theory within the local density approximation for the exchange correlation energy. The ground-state electronic properties, which have been calculated…
We have studied the Heisenberg antiferromagnets on two-dimensional frustrated lattices, triangular and kagome lattices using linear spin-wave theory. A collinear ground state ordering is possible if one of the three bonds in each triangular…
We show, by means of low-energy muon spin rotation measurements, that few-unit-cells thick La(2)CuO(4) layers synthesized digitally by molecular beam epitaxy synthesis are antiferromagnetically ordered. Below a thickness of about 5 CuO(2)…
The noninteracting electronic structures of tight binding models on bipartite lattices with unequal numbers of sites in the two sublattices have a number of unique features, including the presence of spatially localized eigenstates and flat…
We report the structural, magnetic and thermodynamic properties of the double perovskite compound La2CuIrO6 from X-ray, neutron diffraction, neutron depolarization, dc magnetization, ac susceptibility, specific heat, muon-spin-relaxation…
The results of a numerical study of an ordered substitution of a double-segment into the unit cell of square artificial spin ice are presented. Each pattern vertex has three magnetic moment configurations that compete to form a magnetic…
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…
By means of density functional theory, we investigate the magnetic ground state of edge-sharing CuO_2 spin-chains, as found in the (La,Ca,Sr)_14Cu_24O_41system, for instance. Our data rely on spin-polarized electronic structure calculations…
The semiconductor-semiconductor transition of La2RuO5 is studied by means of augmented spherical wave (ASW) electronic structure calculations as based on density functional theory and the local density approximation. This transition has…
In this paper, we report on the magnetic properties of Ba2CoS3, a spin-chain compound recently found to be the first Co2+ containing one-dimensional sulphide to show metallic-like conductivity and negative magnetoresistance. We carried out…
We report long-range ordered antiferromagnetism concomitant with local iron displacements in the spin-ladder compound BaFe$_2$Se$_3$. Short-range magnetic correlations, present at room temperature, develop into long-range antiferromagnetic…
We show that the magnetism of double perovskite AFe_{1/2}M_{1/2}O_3 systems may be described by the Heisenberg model on the simple cubic lattice, where only half of sites are occupied by localized magnetic moments. The nearest-neighbor…
We apply the self-interaction corrected local spin density %(SIC-LSD) approximation to study the electronic structure and magnetic properties of the spinel ferrites MnFe$_{2}$O$_{4}$, Fe$_{3}$O$_{4}$, CoFe$_{2}$O$_{4}$, and…
Density functional calculations are used to study magnetic and electronic properties of the spinel ferrites, ZnFe$_2$O$_4$ and MnFe$_2$O$_4$. Correct magnetic orderings are obtained. ZnFe$_2$O$_4$ is predicted to be a small gap insulator in…
The anisotropic triangular lattice of the crednerite system Cu(Mn1-xCux)O2 is used as a basic model for studying the influence of spin disorder on the ground state properties of a two-dimensional frustrated antiferromagnet. Neutron…
In this work we study the interplay between the crystal structure and magnetism of the pyroarsenate \alpha-Cu_2As_2O_7 by means of magnetization, heat capacity, electron spin resonance and nuclear magnetic resonance measurements as well as…
We present a detailed powder and single crystal neutron diffraction study of the spin chain compound Ca3Co2O6. Below 25 K, the system orders magnetically with a modulated partially disordered antiferromagnetic structure. We give a…
We investigate the electronic structure of SrRuO3 and CaRuO3 using full potential linearized augmented plane wave method within the local spin density approximations. The ferromagnetic ground state in SrRuO3 could exactly be described in…