The stability of (Mg, Fe) SiO3 perovskite in the deep lower mantle has long been uncertain.
Recently, a phase transition from perovskite to postperovskite was discovered through a …

This research has been motivated by geophysics and materials physics. The objective of this
research has been to advance materials theory and computations for high pressure and …

Calcium silicate perovskite, CaSiO3, is arguably the most geochemically important phase in
the lower mantle, because it concentrates elements that are incompatible in the upper …

On the basis of extensive studies of synthetic perovskite-structured compounds it is possible
to derive a hierarchy of hettotype structures which are derivatives of the arisotypic cubic …

We show, by single-crystal diffraction studies in laser-heated diamond-anvil cells, that
Ca2CO4 orthocarbonate, which contains CO44− tetrahedra, can be formed already at~ 20 …

Seismology records the presence of various heterogeneities throughout the lower mantle,,
but the origins of these signals—whether thermal or chemical—remain uncertain, and …

The stability of cubic Ca Si O 3 perovskite (CaPv) at high temperatures and pressures is
investigated by vibrational normal-mode analysis. We compute power spectra of mode …

We use a hybrid strategy to obtain anharmonic frequency shifts and lifetimes of phonon
quasiparticles from first principles molecular dynamics simulations in modest size …

Landau theory has been used to develop expressions for the elastic anomalies that
accompany octahedral tilting transitions in perovskites that are associated with the M and R …

We predict the phase diagram of Ca Si O 3 perovskite, finding the tetragonal I 4∕ mcm
structure transforming to cubic P m 3¯ m with increasing temperature. The transition …