Related papers: Extracting d-orbital occupancy from magnetic Compt…
We have measured temperature-dependent magnetic Compton profiles (MCPs) from a single crystal of La$_{1.2}$Sr$_{1.8}$Mn$_2$O$_7$. The MCPs, which involved the scattering of circularly polarized x-rays, are in general related to the momentum…
We have carried out first principles, all-electron computations of the magnetic momentum density $\rho_{mag}({\mathbf p})$ and magnetic Compton profiles (MCPs) for momentum transfer along the [100], [001], and [110] directions in…
We calculated the magnetic Compton profiles (MCPs) of Ni using density functional theory supplemented by electronic correlations treated within dynamical mean-field theory (DMFT). We present comparisons between the theoretical and…
A first principles study of La$_{2-2x}$Sr$_{1+2x}$Mn$_2$O$_7$ compounds for doping levels $0.3\leq x\leq 0.5$ shows that the low energy electronic structure of the majority spin carriers is determined by strong momentum dependent…
The magnetic and orbital orders for the bilayer manganites in the doping region $0.5 < x <1.0$ have been investigated from a model that incorporates the two $e_g$ orbitals at each Mn site, the inter-orbital Coulomb interaction and lattice…
We study the magnetic Compton profile (MCP) of the disordered Fe$_{0.5}$Ni$_{0.5}$ and of the ordered FeNi alloys and discuss the interplay between structural disorder and electronic correlations. The Coherent Potential Approximation is…
Magnetic Compton profiles (MCPs) of Ni and Fe along [111] direction have been calculated using a combined Density Functional and many-body theory approach. At the level of the local spin density approximation the theoretical MCPs does not…
There have been recent reports of charge ordering around $x=0.5$ in the bilayer manganites. At $x=0.5$, there appears to be a coexistence region of layered A-type antiferromagnetc and charge order. There are also reports of orbital order in…
Correlation between orbital structure and magnetic ordering in bilayered manganites is examined. A level separation between the $3d_{3z^2-r^2}$ and $3d_{x^2-y^2}$ orbitals in a Mn ion is calculated in the ionic model for a large number of…
The occupation of d-orbitals controls the magnitude and anisotropy of the inter-atomic electron transfer in transition metal oxides and hence exerts a key influence on their chemical bonding and physical properties. Atomic-scale modulations…
We report resonant x-ray scattering data of the orbital and magnetic ordering at low temperatures at the Mn $L_{\rm 2,3}$ edges in \lsmo. The orderings display complex energy features close to the Mn absorption edges. Systematic modeling…
We construct a numerical model of emission from minijets, localized flows driven by magnetic reconnection inside Poynting-flux-dominated jets proposed to explain the ultrafast variability of blazars. The geometrical structure of the model…
We report a high resolution resonant inelastic x-ray scattering investigation of the bilayer manganites La$_{2-2x}$Sr$_{1+2x}$Mn$_2$O$_7$ with $x = 0.36$ and $0.5$. The momentum dependence along the crystallographic $(110)$ direction for…
We present a theoretical study of diluted magnetic semiconductors that treats the local sp-d exchange interaction J between the itinerant carriers and the Mn d electrons within a realistic band structure and goes beyond previous mean-field…
We employ density functional theory within a non-collinear framework to investigate the magnetic properties of the octanuclear molecular rings Cr$_8$ and V$_8$. Our aim is to generalize the evaluation of the effective magnetic interactions…
The electronic and magnetic properties of ferromagnetic doped manganites are investigated by means of model tight-binding and \textit{ab initio} self-interaction corrected local spin density approximation calculations. It is found that the…
We demonstrate that the half-doped bilayer manganite La_{1}Sr_{2}Mn_{2}O_{7} exhibits CE-type charge-ordered and spin-ordered states below $T_{N, CO}^A = 210$ K and below $T_{N}^{CE} \sim 145$ K, respectively. However, the volume fraction…
We have utilized the resonant x-ray diffraction technique at the Mn L-edge in order to directly compare magnetic and orbital correlations in the Mn sub-lattice of Pr0.6Ca0.4MnO3. The resonant line shape is measured below T_OO ~ 240 K at the…
We report neutron scattering, magnetic susceptibility and Monte Carlo theoretical analysis to verify the short range nature of the magnetic structure and spin-spin correlations in a Yb$_3$Ga$_5$O$_{12}$ single crystal. The quantum spin…
Based on density functional calculations, we report on the orbital order and microscopic magnetic model of FeNCN, a prototype compound for orbital-only models. Despite having a similar energy scale, the spin and orbital degrees of freedom…