Transition metal oxides (TMOs) exhibit many emergent phenomena ranging from high-temperature superconductivity and giant magnetoresistance to magnetism and ferroelectricity. In addition, when TMOs are interfaced with each other, new functionalities can arise, which are absent in individual components. Here, we report results from first-principles calculations on the magnetism at the BiFeO3/YBa2...

3 Aspects of magnetism in oxides 9 3.1 SrMnO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10 3.2 Crystal fields, moment formation and ordering . . . . . . . . . . . . . . . . . . 12 3.3 SrMnO3 revisited . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14 3.4 SrTcO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 3.5...

Oxygen coordination of transition metals is a key for functional properties of transition-metal oxides, because hybridization of transition-metal d and oxygen p orbitals determines correlations between charges, spins and lattices. Strain often modifies the oxygen coordination environment and affects such correlations in the oxides, resulting in the emergence of unusual properties and, in some c...

Transparent conductive electrodes are important components of thin-film solar cells, light-emitting diodes, and many display technologies. Doped metal oxides are commonly used, but their optical transparency is limited for films with a low sheet resistance. Furthermore, they are prone to cracking when deposited on flexible substrates, are costly, and require a high-temperature step for the best...

A novel method for the deposition of RuO(2) from RuO(4)(g) on diverse metal oxides has been developed by grafting dopamine onto the otherwise un-reactive metal oxide surface. Oxygen evolution reaction on TiO(2) and the photoelectrochemical improvement of WO(3) by deposition of RuO(2) are just a few examples where this novel deposition method can be used.

Some transition metal oxides have frustrated electronic states under multiphase competition due to strongly correlated d electrons with spin, charge, and orbital degrees of freedom and exhibit drastic responses to external stimuli such as optical excitation. Here, we present photoemission studies on Pr0.55(Ca1 - ySry)0.45MnO3 (y = 0.25), SrTiO3, and Ti1 - xCoxO2 (x = 0.05, 0.10) under laser ill...

Transition metal oxides are a rich area of investigation for experimentalists and theorists alike due to their coupling of multiple degrees of freedom with similar interaction strengths. This complexity leads to intrinsic phase inhomogeneities that are believed to play a significant role in the fascinating phenomena observed in these systems. We use ultrafast mid-infrared spectroscopy to probe ...

The catalysis science of mixed metal oxides (supported metal oxides, molecular sieves and bulk mixed metal oxides) has undergone dramatic paradigm changes over the past 25 years as new characterization techniques became available (X-ray absorption spectroscopy (EXAFS/XANES/soft XANES), Raman, solid-state NMR, HR-TEM, UV–vis DRS and LEISS) to catalysis researchers. The major advantages offered b...

Introduction Catalytic oxidations with O2 are one of the most important and widely studied reaction classes in heterogeneous catalysis. Metal oxides are of particular interest as catalysts because of the potential to replace expensive precious metals such as Pt and Pd. Despite the promising catalytic oxidation activities metal oxides have shown, practical applications are limited by surface poi...

Oxygen vacancies in metal oxides are known to determine their chemistry and physics. The properties of neutral oxygen vacancies in metal oxides of increasing complexity (MgO, CaO, alpha-Al2O3, and ZnO) have been studied using density functional theory. Vacancy formation energies, vacancy-vacancy interaction, and the barriers for vacancy migration are determined and rationalized in terms of the ...