Related papers: The atomic-start description of NiO
The size dependent electronic structure and separate spin and orbital magnetic moments of free Co$_n^+$ ($n = 4\;\textrm{-}\;9$) cluster ions have been investigated by x-ray absorption and x-ray magnetic circular dichroism spectroscopy in a…
We study the structural, magnetic, transport and electronic properties of LaCoO$_3$ with Sr/Nb co-substitution, i.e., La$_{(1-2x)}$Sr$_{2x}$Co$_{(1-x)}$Nb$_{x}$O$_3$ using x-ray and neutron diffraction, dc and ac-magnetization, neutron…
The Ni ion in LaNiO$_2$ has the same formal ionic configuration $3d^9$ as does Cu in isostructural CaCuO$_2$, but it is reported to be nonmagnetic and probably metallic whereas CaCuO$_2$ is a magnetic insulator. From ab initio calculations…
The quantum dimer magnet, with antiferromagnetic intradimer and interdimer Heisenberg exchange between spin-1/2 moments, is known to host an up/down - down/up singlet ground state when the intradimer exchange is dominant. Rare-earth-based…
We describe neutron scattering experiments performed to investigate the magnetic order and dynamics of half-doped La1.5Sr0.5CoO4. This layered perovskite exhibits a near-ideal checkerboard pattern of Co2+/Co3+ charge order at temperatures…
Magnetic moment of the Fe2+ ion in FeO, FeS and FeBr2 has been calculated within the quantum atomistic solid-state theory to substantially exceed a value of 4 muB in the magnetically-ordered state at 0 K. In all compounds the large orbital…
We have described properties of LiCoO_2 within the Quantum Atomistic Solid State (QUASST) theory taking into account very strong electron correlations, predominantly of the intra-atomic origin, spin-orbit coupling and the detailed local…
Within a rather general tight-binding framework, we studied the magnetic properties of Ni$_{n}$ clusters with $n=9$ through 60. In addition to usual hopping, exchange, and spin-orbit coupling terms, our Hamiltonian also included orbital…
We report the first principle investigations on the structural, electronic, magnetic and ferroelectric properties of a Pb free double perovskite multiferroic Bi2NiTiO6 using density functional theory within the general gradient…
Using single crystal neutron scattering we show that the magnetic structure Ni$_3$TeO$_6$ at fields above 8.6 T along the $c$ axis changes from a commensurate collinear antiferromagnetic structure with spins along c and ordering vector…
We present a detailed study of the magnetic properties of sol-gel prepared nickel oxide nanoparticles of different sizes. We report various measurements such as frequency, field and temperature dependence of ac susceptibility, temperature…
We report magnetic properties of a 3d$^9$ (Cu$^{2+}$) magnetic insulator Cu2OSO4 measured on both powder and single crystal. The magnetic atoms of this compound form layers, whose geometry can be described either as a system of chains…
We report magnetic and thermodynamic properties of a $4d^1$ (Mo$^{5+}$) magnetic insulator MoOPO$_4$ single crystal, which realizes a $J_1$-$J_2$ Heisenberg spin-$1/2$ model on a stacked square lattice. The specific-heat measurements show a…
Neutron diffraction studies have been carried out on a single crystal of oxygen-deficient perovskite TbBaCo2O5.5 in the temperature range of 7-370 K. There have been observed several magnetic or structural transitions. Among these, the…
We find using LSDA+U band structure calculations that the novel one-dimensional cobaltate Ca$_3$Co$_2$O$_6$ is not a ferromagnetic half-metal but a Mott insulator. Both the octahedral and the trigonal Co ions are formally trivalent, with…
Neutron diffraction studies have been carried out on a single crystal of oxygen-deficient perovskite NdBaCo2O5 in the temperature range of 7-370 K. There have been observed, with decreasing temperature T, two magnetic transitions…
$\gamma$-triclinic and $\alpha$-monoclinic polymorphs of CoV$_{2}$O$_{6}$ are two of the few known transition metal ion based materials that display stepped $1/3$ magnetization plateaus at low temperatures. Neutron diffraction [M. Markkula…
We report detailed magnetization measurements on the perovskite oxide NdNiO$_3$. This system has a first order metal-insulator (M-I) transition at about 200 K which is associated with charge ordering. There is also a concurrent paramagnetic…
We report a detail theoretical study of the electronic structure and phase stability of transition metal oxides MnO, FeO, CoO, and NiO in their paramagnetic cubic B1 structure by employing dynamical mean-field theory of correlated electrons…
We report a detailed neutron scattering study of the ordering of spins and holes in oxygen-doped La(2)NiO(4.133). The single-crystal sample exhibits the same oxygen-interstitial order but better defined charge-stripe order than that studied…