Originating from a broken spatial inversion symmetry, ferroelectricity is a functionality of
materials with an electric dipole that can be switched by external electric fields …

Ferroelectrics have become indispensable components in various application fields,
including information processing, energy harvesting, and electromechanical conversion …

The way in which atoms bond to form a material—in particular the pattern of bond lengths
and angles—is the fundamental determinant of the properties of the resulting material …

Hafnia (HfO 2)-based thin films have promising applications in nanoscale electronic devices
due to their robust ferroelectricity and integration with silicon. Identifying and stabilizing the …

Nonequilibrium atomic structures can host exotic and technologically relevant properties in
otherwise conventional materials. Oxygen octahedral rotation forms a fundamental atomic …

Interfaces between materials present unique opportunities for the discovery of intriguing
quantum phenomena. Here, we explore the possibility that, in the case of superlattices, if …

Using first-principles calculations we examine the crystal structures and phase transitions of
nitride perovskite LaWN 3. Lattice dynamics calculations indicate that the ground-state …

Octahedral tilts are the most ubiquitous distortions in perovskite-related structures that can
dramatically influence ferroelectric, magnetic, and electronic properties; yet the paradigm of …

Weakly coupled ferroelectric/dielectric superlattice thin-film heterostructures exhibit complex
nanoscale polarization configurations that arise from a balance of competing electrostatic …

Free electrons can screen out long-range Coulomb interaction and destroy the polar
distortion in some ferroelectric materials, whereas the coexistence of polar distortion and …