Complex oxides are record holder materials for many phenomena, including ferroelectricity,
piezoelectricity, superconductivity and multiferroicity. Complex oxides often have competing …

Complex transition metal oxides have played a central role in the study of magnetic
materials, serving as model systems for explorations of fundamental exchange interactions …

Using epitaxy and the misfit strain imposed by an underlying substrate, it is possible to
elastically strain oxide thin films to percent levels—far beyond where they would crack in …

We present an efficient scheme for combining ab initio calculated solid states with
experimental aqueous states through a framework of consistent reference energies. Our …

We use first-principles calculations to investigate the stability of biaxially strained Pnma
perovskite CaMnO 3 towards the formation of oxygen vacancies. Our motivation is provided …

Perovskite oxides have high catalytic activities for oxygen electrocatalysis competitive to
platinum at elevated temperatures. However, little is known about the oxide surface …

Lithium-air batteries have captured worldwide attention due to their highest energy density
among the chemical batteries. To provide continuous oxygen channels, here, we …

Solid oxide fuel cells (SOFC) are under intensive investigation since the 1980's as these
devices open the way for ecologically clean direct conversion of the chemical energy into …

The properties of complex oxide films depend sensitively on epitaxial strain. This strain
affects bond lengths and angles, and defect types and densities, thus impacting physical …

Much recent attention has focused on the voltage-driven reversible topotactic transformation
between the ferromagnetic metallic perovskite (P) SrCoO3− δ and oxygen-vacancy-ordered …