Nanoscale electromechanical activity, remanent polarization states, and hysteresis loops in paraelectric TiO(2) and SrTiO(3) thin films are observed using scanning probe microscopy. The coupling between the ionic dynamics and incipient ferroelectricity in these materials is analyzed using extended Landau-Ginzburg-Devonshire (LGD) theory. The possible origins of electromechanical coupling includ...

Lithium-ion batteries (LIBs) have been widely used in the field of portable electric devices because of their high energy density and long cycling life. To further improve the performance of LIBs, it is of great importance to develop new electrode materials. Various transition metal oxides (TMOs) have been extensively investigated as electrode materials for LIBs. According to the reaction mecha...

We summarize some characteristic features of the frustrated magnetic interactions in spin-orbital models adequate for cubic transition metal oxides with orbital degeneracy. A generic tendency towards dimerization, found already in the degenerate Hubbard model, is confirmed for t2g but not for eg systems. In the t2g case the quantum orbital fluctuations are more pronounced and contribute to a st...

A strong interplay between charge, lattice, orbital and spin degrees of freedom exists in transition-metal oxides yielding the emergence of a large spectrum of functionalities such as hightemperature superconductivity, metal/insulator transition, multiferroicity, thermoelectricity... More specifically, mixed valence states of 3d elements issue as a driving force in such interplay. In addition, ...

We investigate the ground state properties of electronic models for doped transition-metal oxides. An effective t J like Hamiltonian is derived from the case of strong Hund coupling between the conduction electrons and localized spins by means of the projection technique. An attractive interaction for conduction electrons and an antiferromagnetic coupling of the localized spin are obtained. A l...

A large enhancement of the thermoelectric figure of merit is reported in single-crystalline films of CrN. The mechanism of the reduction of the lattice thermal conductivity in cubic CrN is similar to the resonant bonding in IV-VI compounds. Therefore, useful ideas from classic thermo-electrics can be applied to tune functionalities in transition metal nitrides and oxides.

Abstract Selected developments in the chemistry of heteroaromatic N-oxides since 2001 are presented in this review. The use of these Noxides, both in late-transition-metal-catalyzed oxidations of carbon– carbon triple bonds and in regioselective C–H functionalizations of the heteroarene, are contemporary topics of interest and the focus of the discussion.

1037 Abstract In complex transition-metal oxides, the interactions between the electronic spins, charges, and orbitals produce a rich variety of electronic phases. The competition and/or cooperation among these correlated-electron phases can lead to the emergence of surprising electronic phenomena and functionalities and form the basis for a new type of electronics. Strongly Correlated Electron...

Metal oxides play a very important role in many areas of chemistry, physical and materials science. Metal oxides are formed as a consequence of co-ordination tendency of metal ions so that oxide ions form co-ordination sphere around metal ions and give rise to close packed structure. The different physical, magnetic, optical and chemical properties of metal oxides are of great interest to chemi...

To understand the difference in reversible energy storage capacity between the O3-type layered Na and Li compounds, we use first principles calculations to study and contrast the effect of two well-known destabilization mechanisms, transformation into the spinel-type structures and cation mixing due to transition metal migration. This study is performed on the layered oxides at the A(0.5)MO(2) ...