Related papers: The atomic-start description of NiO
The properties of UO$_{2}$ result from rich $f$-electron physics, including electronic Coulomb interactions, spin-orbit and crystal field effects, as well as inter-ionic multipolar coupling. We present a comprehensive theoretical study of…
We point out that the orbital magnetism has to be taken into account in the description of real 3d-ion compounds. According to the developed by us the Quantum-Atomistic Solid-State (QUASST) theory in compounds containing open…
We combine density functional theory, x-ray magnetic circular dichroism, multiplet calculations, and scanning tunneling spectroscopy to assess the magnetic properties of Fe atoms adsorbed on a thin layer of MgO(100) on Ag(100). Despite the…
We investigate the magnetic interactions in Sr3NiPtO6, characterized to be a spin liquid using ab initio calculations. The results reveal a novel metal to insulator transition due to finite exchange interaction strength; the magnetic…
We present evidence that the metal-insulator transition (MIT) in a tensile strained NdNiO3 (NNO) film is facilitated by a redistribution of electronic density and neither requires Ni charge disproportionation nor symmetry change [1, 2].…
The band structure of a strongly correlated semiconductor as NiO has been the object of much debate [PRL 103, 036404 (2009); PRL 102, 226401 (2009)]. Most authors, using computational techniques well beyond the simple density functional…
We propose a three-dimensional multi-orbital tight-binding model for rare-earth nickelates RNiO$_3$ that treats charge, spin, orbital, and lattice degrees of freedom on equal footing. All model parameters, including the on-site interactions…
Iridates abound with interesting magnetic behaviours because of their strong spin-orbit coupling. Sr$_3$NiIrO$_6$ brings together the spin-orbital entanglement of the Ir$^{4+}$ ion with a 3$d$ Ni cation and a one-dimensional crystal…
The balance between the orbital and spin magnetic moments in a magnetic system is the heart of many intriguing phenomena. Here, we show experimental evidence of a large orbital moment, which competes with its spin counterpart in a…
A detailed investigation of Ba$_2$MnGe$_2$O$_7$ was performed in its low-temperature magnetoelectric state combining neutron diffraction with magnetization measurements on single crystals. In the paramagnetic state at 10 K, polarized…
Spin correlations in metallic and insulating phases of $V_2O_3$ and its derivatives are investigated using magnetic neutron scattering. Metallic samples have incommensurate spin correlations varying little with hole doping. Paramagnetic…
We derive a spin-orbital model for insulating LaMnO_3 which fulfills the SU(2) symmetry of S=2 spins at Mn^{3+} ions. It includes the complete e_g and t_{2g} superexchange which follows from a realistic Mn^{2+} multiplet structure in cubic…
We report magnetization, susceptibility, electrical transport, and electron spin resonance (ESR) studies of single crystals of beta-AgNpO2(SeO3). Here the valence of the Np sites is expected to be Np(V). We observe a magnetic transition…
The (001) surface of NiO, an antiferromagnet at room temperature, was investigated under ultra-high vacuum conditions with frequency modulation atomic force microscopy (FM-AFM). The antiferromagnetic coupling between ions leads to a spin…
Magnetic properties of a quasi one-dimensional magnet CuV_2O_6 have been studied by means of susceptibility measurement, NMR and powder neutron diffraction. Cu^{2+} spins (S=1/2) order antiferromagnetically below 22.6 K, and the saturation…
We present results of GGA+U calculations for the "d^0 magnet" RbO_2, where magnetic properties are due to partially filled oxygen p orbitals. We show that on-site interactions on the oxygen sites lead to a strong tendency towards the…
We report on the stability and magnetic state of ion implanted $^8$Li in single crystals of the semiconductor ZnO using $\beta$-detected nuclear magnetic resonance. At ultradilute concentrations, the spectra reveal distinct Li sites from…
The double perovskite ${\rm La}_2{\rm NiTiO}_6$ is identified as a three-dimensional $S=1$ quantum magnet. By means of Density Functional Theory we demonstrate that this material is a high-spin $d$-electron system deep in the Heisenberg…
Inelastic neutron scattering has been used to measure the low-energy spin excitations in the ordered charge-stripe phase of La(2)NiO(4+d) with d=0.133. Spin-wave-like excitations disperse away from the incommensurate magnetic superlattice…
We have performed x-ray linear and circular magnetic dichroism experiments at the Mn L2,3-edge of the La0.7Sr0.3MnO3 ultra thin films. Our measurements show that the antiferromagnetic (AF) insulating phase is stabilized by the interfacial…