The emergence of metamaterials and their continued prosperity have built a powerful
working platform for accurately manipulating the behavior of electromagnetic waves …

Despite the widespread use of charge‐trap flash (CTF) memory, the atomistic mechanism
behind the exceptionally stable charge storage at the localized trap sites is still controversial …

The structural phase transition of the high-symmetry cubic phase of antiperovskite Na 3 O Cl
is investigated by computing the phonon band structures of 14 different polymorphs with …

Polymorphic beryllium oxide has been theoretically investigated from first principles as
regards orbital occupancies, chemical bonding, polarization, as well as dielectric properties …

We calculate the lattice dielectric function of strongly anharmonic rutile TiO 2 from ab initio
anharmonic lattice dynamics methods. Since an accurate calculation of the Γ point phonons …

We examine the effect of isovalent substitutions and co-do** on the ionic dielectric
constant of paraelectric titanates (perovskite, Ruddlesden-Popper phases, and rutile) using …

Recent developments in materials manufacturing has allowed researchers to engineer
unique wave-matter interactions at the nano-scale. These interactions foster unique and …

Many ab initio approaches for calculating anharmonic phonon dispersion relations have
recently been developed, taking advantage of improvements in computational power. In this …

In quantum materials, phenomena occurring at the subatomic level can manifest as
properties on a macroscopic scale. The exploration of quantum effects in materials with …