We review oxygen K-edge X-ray absorption spectra of both molecules and solids. We start
with an overview of the main experimental aspects of oxygen K-edge X-ray absorption …

Statement of problem Yttria-stabilized tetragonal zirconia polycrystal has been used as a
dental biomaterial for several decades because the fracture toughness and bend strength …

Defects at transition metal (TM) and rare earth (RE) oxide surfaces, neutral oxygen
vacancies in particular, play a major role in a variety of technological applications. This is the …

We performed plane wave density functional theory (DFT) calculations of formation
energies, relaxed structures, and electrical levels of oxygen vacancies and interstitial …

Abstract d 0 ferromagnetic oxide semiconductors have recently been proposed as a
potential and alternative material with high Curie temperature ferromagnetism, which is …

The paramagnetic defects present in pristine zirconium dioxide (ZrO2) and those formed
upon reductive treatments (either annealing or UV irradiation in H2) are described and …

This article reviews the present state of research on metal–zirconia interfaces. Interfaces
play a crucial role in establishing the macroscopic properties and performance of zirconia …

The structural and electronic properties of four different polytypes of zirconia (ZrO 2) are
studied using ab initio total-energy calculations. The calculations are performed in the …

Zirconia is of great industrial importance as support for catalysts and as ion conductor.
Especially when mechanical stability is needed in environments with varying temperature …

The atomic and electronic structures of zirconia are calculated within density functional
theory, and their evolution is analyzed as the crystal-field symmetry changes from …