Ferroelectric crystals feature asymmetric or polar structures that are switchable under an
external electric field, holding promise for information storage. Nanoscale ferroelectrics …

Flexoelectricity in twinned ferroelastic thin films generates polarity inside twin walls. The
electrical dipoles are typically aligned parallel to twin walls while out-of-plane dipoles are …

Using a free-energy based computational model, we have investigated the response of a
system comprising two interacting ferroelectric nanospheres, embedded in a dielectric …

The effect of oxygen vacancy on the ferroelectricity of the 90 domain wall structure in PbTiO
3 has been investigated by ab initio (first-principles) density functional theory calculations …

Interfacial phenomena in dielectric-ferroelectric composites have significant potential for
promoting novel properties. Here, we utilize a dynamic Landau–Ginzburg–Devonshire …

The electronic structure and thermoelectric transport in SnSe and its alloy with Cu 2 Se have
been studied using the first principles technique and semi classical Boltzmann transport …

Ferroelectric-dielectric composite materials are attractive for a range of applications in future
functional devices. Here, we utilized a free energy based computational approach to …

Beyond a ferroelectric critical thickness of several nanometers existed in conventional
ferroelectric perovskite oxides, ferroelectricity in ultimately thin dimensions was recently …

The domain structures in the dielectric polarization vortex of BaO-terminated cubic BaTiO 3
nanoclusters were calculated by classical molecular dynamics simulations using a shell …

In this study, interface energy and internal energy are used to characterize the contribution
of the interface lattice and internal lattice to the phase transition of nanomaterials …