Using first-principles density functional calculations, we show that ferroelectricity can be induced in simple alkaline-earth-metal binary oxides such as barium oxide (BaO) using appropriate epitaxial strains. Going beyond the fundamental discovery, we highlight that the functional properties (polarization, dielectric constant, and piezoelectric response) of such strained binary oxides are comp...

The origin of ferroelectricity in doped binary crystals, Pb1−xGexTe, Cd1−xZnxTe, Zn1−xLixO, and Hf1−xZrxO2 is discussed, while no binary ferroelectrics have been reported except for two crystals, HCl and HBr. The ferroelectricity is induced only in doped crystals, which shows an importance of electronic modification in chemical bonds by dopants. The phenomenological and microscopic treatments a...

Ordered binary oxide films of vanadium oxide have been prepared on an aluminum oxide film supported on Mo~110! under ultrahigh vacuum conditions and characterized by various surface analytical techniques. Auger electron spectroscopy, low energy electron diffraction, high-resolution electron loss spectroscopy, x-ray photoelectron spectroscopy and ion scattering spectroscopy indicate that the van...

Non-rutile polymorphs of binary iridium oxide such as columbite IrO2 (α-IrO2) are promising candidates for highly active acid-stable oxygen evolution reaction (OER) catalysts, yet their synthesis h...

The observation of ferroelectric, ferromagnetic and ferroelastic phases in thin films binary oxides attract the broad interest scientists engineers. However, theoretical consideration observed behaviour physical nature was performed mainly for HfO2 from first principles, framework Landau-Ginzburg-Devonshire (LGD) phenomenological approach with a special attention to role oxygen vacancies both c...