Results 41 to 50 of about 11,585 (198)
Theoretical investigations of the bulk modulus in the tetra-cubic transition of PbTiO3 material
Química Nova, 2014 Resulting from ion displacement in a solid under pressure, piezoelectricity is an electrical polarization that can be observed in perovskite-type electronic ceramics, such as PbTiO3, which present cubic and tetragonal symmetries at different pressures ...
Renan A. P. Ribeiro +1 more
doaj +1 more source
Diffusion–Model–Driven Discovery of Ferroelectrics for Photocurrent Applications
Advanced Science, EarlyView.We developed a diffusion model–based generative AI and high‐throughput screening framework that accelerates the discovery of photovoltaic ferroelectrics. By coupling AI driven crystal generation with machine learning and DFT screening, we identified Ca3P2 and LiCdP as new ferroelectric materials exhibiting strong polarization, feasible switching ...
Byung Chul Yeo +3 more
wiley +1 more source
, 2003 The effect of layer-by-layer heterostructuring and epitaxial strain on lattice instabilities and related ferroelectric properties is investigated from first principles for the [001]-(PbTiO$_3$)$_1$(PbZrO$_3$)$_1$ superlattice and pure PbTiO$_3$ on a ...
A. Garcia +22 more
core +1 more source
Advanced Science, EarlyView.Terahertz resonances in crystalline heterostructures could close a spectral gap between conventional electronics and photonics while opening new windows on non‐equilibrium lattice dynamics. Femtosecond optical screening of the depolarization field in epitaxial PbTiO3/SrTiO3 superlattices launches a collective polar mode that oscillates near 1 THz and ...
Deepankar Sri Gyan +13 more
wiley +1 more source
Chiral structures of electric polarization vectors quantified by X-ray resonant scattering
Nature Communications, 2022 The polar chiral texture of the vortex or skyrmion structure in ferroelectric oxide PbTiO3/SrTiO3 superlattice attracts attention. Here, the authors report a theoretical framework to probe emergent chirality of electrical polarization textures.
Kook Tae Kim +21 more
doaj +1 more source
Electron localization : band-by-band decomposition, and application to oxides
, 2002 Using a plane wave pseudopotential approach to density functional theory we investigate the electron localization length in various oxides. For this purpose, we first set up a theory of the band-by-band decomposition of this quantity, more complex than ...
A.A. Aligia +33 more
core +1 more source
Elastocaloric response of PbTiO3 predicted from a first-principles effective Hamiltonian [PDF]
, 2015 A first-principles based effective Hamiltonian is used within a molecular dynamics simulation to study the elastocaloric effect in PbTiO3. It is found that the transition temperature is a linear function of uniaxial tensile stress.
Barr, Jordan A. +2 more
core +1 more source
Advanced Science, EarlyView.Based on orbital magnetic moment control, a material design strategy is proposed for a giant converse magnetoelectric effect in multiferroic heterostructures. This study will pioneer a promising route toward low‐power spintronic devices with an electric field.
Takamasa Usami +5 more
wiley +1 more source
Theoretical Model Construction of Piezoelectric Coefficient of PbTiO3 Nanoparticles
Chemical Engineering Transactions, 2017 This paper aims to explain the size dependence of piezoelectric coefficient d33(D) of PbTiO3 nanoparticles. For this purpose, a theoretical model was created for the size-dependent piezoelectric coefficient, considering the Curie temperature for small ...
Shuai Zhang, Lei Chen
doaj +1 more source
Engineering polar vortex from topologically trivial domain architecture
Nature Communications, 2021 The majority of polar structures emerging naturally in ferroelectrics are topologically trivial. Here, the authors demonstrate reconstruction of topologically trivial strip-like domain architecture into arrays of polar vortex in (PbTiO3)10/(SrTiO3)10 ...
Congbing Tan +17 more
doaj +1 more source