Results 41 to 50 of about 19,560 (246)
Does a Morphotropic Phase Boundary Exist in ZrxHf1‐xO2‐Based Thin Films?
Advanced Functional Materials, EarlyView.This study investigates 6 nm zirconium‐rich hafnium‐zirconium oxide thin–film metal–insulator–metal capacitors using a combination of experimental methods and machine learning–based molecular dynamics simulations to provide insight into the physical mechanisms that enhance the dielectric constant near 0 V and attribute it to the field‐induced ...
Pramoda Vishnumurthy +9 more
wiley +1 more source
High Curie temperature BiInO3-PbTiO3 films [PDF]
Journal of Applied Physics, 2014 High Curie temperature piezoelectric thin films of xBiInO3-(1-x)PbTiO3 (x = 0.10, 0.15, 0.20, and 0.25) were prepared by pulsed laser deposition. It was found that the tetragonality of films decreased with increasing BI content. The dielectric constant and transverse piezoelectric coefficient (e31,f) exhibit the highest values of 665 and −13.6 C/m2 at ...
Sun Young, Lee +2 more
openaire +2 more sources
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
Advanced Functional Materials, EarlyView.Two isomorphic COFs were synthesized and compared, including an amphoteric COF (SQ‐TAPT) and a neutral COF (PDA‐TAPT). The ionic bonds in SQ‐TAPT introduce more Born effective charges, thereby enhancing its ionic displacement polarization. Experimental and theoretical calculations demonstrated that SQ‐TAPT exhibited higher polarity and stronger ...
Ge Yan +12 more
wiley +1 more source
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
Band alignment at metal/ferroelectric interfaces: insights and artifacts from first principles [PDF]
, 2011 Based on recent advances in first-principles theory, we develop a general model of the band offset at metal/ferroelectric interfaces. We show that, depending on the polarization of the film, a pathological regime might occur where the metallic carriers ...
C. H. Peng +7 more
core +3 more sources
Nature Communications, 2017 Flexoelectricity refers to electric polarization generated by heterogeneous mechanical strains, namely strain gradients, in materials of arbitrary crystal symmetries.
Q. Li +9 more
semanticscholar +1 more source
Electron Channeling Contrast Imaging of Ferroelastic Domains
Advanced Materials, EarlyView.A simple scanning electron microscopy technique, electron channeling contrast imaging, unveils nanoscale ferroelastic domains and their coupling to functional properties in oxide heterostructures. The work demonstrates high‐resolution mapping of both surface and buried domains, broadening the experimental toolbox for ferroic and quantum oxide systems ...
Wei Peng +13 more
wiley +1 more source
, 2005 We find an unexpected tetragonal-to-monoclinic-to-rhombohedral-to-cubic phase transition sequence induced by pressure, and a morphotropic phase boundary in a pure compound using first-principles calculations.
D. J. Singh +4 more
core +1 more source
Emergent Freestanding Complex Oxide Membranes for Multifunctional Applications
Advanced Materials, EarlyView.This review surveys freestanding oxide membranes and covers fabrication and three pathways for studies and devices: strain‐free and strained membranes, and van der Waals‐integrated heterostructures. We show how coupled oxide responses map onto these routes and cross‐couple to expand behaviors.
Baowen Li +6 more
wiley +1 more source