The growth of ultrathin oxide films on metal substrates offers a solution to many of the
experimental difficulties inherent to the studies of surfaces of bulk oxides and provides new …

An effective computational scheme to calculate the complete set of independent elastic
constants as well as other structural parameters including bulk modulus, shear modulus …

Using first-principles total energy calculations, we have investigated the structure and phase
stability of spinel-based transition aluminas (γ, δ, η), both in the presence and absence of …

Abstract γ-alumina (γ− Al 2 O 3) derived from boehmite has historically been described as
having a cubic spinel structure with Fd 3 m symmetry, despite reports of tetragonal distortion …

The influence of nucleation on the microstructure and properties of CVD Al2O3 was
investigated. The experimental α-Al2O3 layers were deposited (a) without nucleation control …

This paper is a review of studies of the structures and reactivities of ordered alumina
surfaces under ultrahigh vacuum (UHV;< 10− 8 Torr), ambient (> 1 Torr), and intermediate …

The surface energy of a solid measures the energy cost of increasing the surface area. All
normal solids therefore have a positive surface energy—if it had been negative, the solid …

Defect ordering in aliovalently doped cubic-stabilized zirconia is studied using gradient
corrected density-functional calculations. Intra-and intersublattice ordering interactions are …

We have performed an extensive computational study of γ-Al 2 O 3, beginning with the
geometric analysis of approximately 1.47 billion spinel-based structural candidates, followed …

Ultrathin Al2O3 layers on alloys are used as templates for model catalysts, tunneling barriers
in electronic devices, or corrosion-resistant layers. The complex atomic structure of well …