Applications of computer-based group-theoretical methods to perovskite crystallography are
reviewed. Such methods furnish a systematic account of the effects on the high-symmetry …

In this paper, the review of recent results of calculations of surface relaxations, energetics,
and bonding properties for ABO 3 perovskite (001),(011) and (111) surfaces using mostly a …

Organic–inorganic perovskites are a class of interesting compound in the perovskite family
due to their unique structures of alternately stacking sheets of organic and inorganic …

The transport of oxygen ions plays a central role in determining the performance or the
degradation of perovskite‐type oxides in applications as diverse as ceramic capacitors, solid …

The software program SPuDS has been developed to predict the crystal structures of
perovskites, including those distorted by tilting of the octahedra. The user inputs the …

The syntheses, crystal structures, electrical properties, and optical absorbance spectra of six
perovskite oxynitrides, AMO2N (A= Ba, Sr, Ca; M= Ta, Nb) have been investigated. The …

Theoretical frameworks used to qualitatively and quantitatively describe nuclear dynamics in
solids are often based on the harmonic approximation. However, this approximation is …

Neutron powder diffraction has been used to examine the structural changes of the rare-
earth aluminates LaAlO 3, PrAlO 3 and NdAlO 3 over a wide range of temperatures. At room …

Group-theoretical methods are used to analyze perovskite structures where both
ferroelectric cation displacements and simple tilting of octahedral units are present. This …

The structural phase transitions of the calcium titanate perovskite CaTiO3 were investigated
by the Rietveld analysis of high-temperature neutron and X-ray powder diffraction data in the …