An ab initio study has been performed to investigate the influence of the surrounding point charges on the calculated electronic properties of the embedded NiO cluster. The employment of the nominal charges "2.0 would cause overestimation of the crystal potential even for the so-called ionic oxide NiO. Several criteria, namely, the charge, potential, dipole moment and charge density consistence...

The magnetic structure and electronic ground state of the layered perovskite Ba(2)IrO(4) have been investigated using x-ray resonant magnetic scattering. Our results are compared with those for Sr(2)IrO(4), for which we provide supplementary data on its magnetic structure. We find that the dominant, long-range antiferromagnetic order is remarkably similar in the two compounds and that the elect...

We propose an unexplored class of absorbing materials for high-efficiency solar cells: heterostructures of transition-metal oxides. In particular, LaVO(3) grown on SrTiO(3) has a direct band gap ∼1.1  eV in the optimal range as well as an internal potential gradient, which can greatly help to separate the photogenerated electron-hole pairs. Furthermore, oxide heterostructures afford the flexibi...

In the Mott insulating phase of the transition metal oxides, the effective orbital-orbital interaction is directional both in orbital space and in real space. We discuss a classical realization of directional coupling in two dimensions. Despite extensive degeneracy of the ground state, the model exhibits partial orbital ordering in the form of directional ordering of fluctuations at low tempera...

Transitional metal oxide nanoparticles as advanced environment and energy materials require very well absorption performance to apply in practice. Although most metal oxides are based on crystalline, high activities can also be achieved with amorphous phases. Here, we reported the adsorption behavior and mechanism of methyl blue (MB) on the amorphous transitional metal oxide (Fe, Co and Ni oxid...

Reversible control of charge transport and magnetic properties without degradation is a key for device applications of transition metal oxides. Chemical doping during the growth of transition metal oxides can result in large changes in physical properties, but in most of the cases irreversibility is an inevitable constraint. Here we report a reversible control of charge transport, metal-insulat...

The preparation of uranium metal directly from its oxides has been studied by a number of investigators. Various approaches have been pursued in these studies. Some attempts to produce the metal by electrolysis of the oxide in fused salt have been made; however, the reductions of the oxides by another metal and by carbon have attracted most attention. Although no entirely satisfactory method ha...

Nanotechnology has opened new and exhilarating opportunities for exploring glucose biosensing applications of the newly prepared nanostructured materials. Nanostructured metal-oxides have been extensively explored to develop biosensors with high sensitivity, fast response times, and stability for the determination of glucose by electrochemical oxidation. This article concentrates mainly on the ...

The influence of quenched disorder on the competition between ordered states separated by a first-order transition is investigated. A phase diagram with features resembling quantum-critical behavior is observed, even using classical models. The low-temperature paramagnetic regime consists of coexisting ordered clusters, with randomly oriented order parameters. Extended to manganites, this state...

With large spin-orbit coupling, the electron configuration in d-metal oxides is prone to highly anisotropic exchange interactions and exotic magnetic properties. In 5d(5) iridates, given the existing variety of crystal structures, the magnetic anisotropy can be tuned from antisymmetric to symmetric Kitaev-type, with interaction strengths that outsize the isotropic terms. By many-body electronic...