Band alignment at metal/ferroelectric interfaces: insights and artifacts from first principles [PDF]
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
Ideal two-dimensional electronic structure in bulk lead titanate for superior thermoelectrics
An ideal two-dimensional (2D) electronic structure is revealed in n-type tetragonal perovskite PbTiO3 through first-principle calculations. This opens exciting prospects for its applications in thermal-to-electrical energy conversion.
Te-Hsien Wang
doaj +1 more source
تأثير درجة الحرارة على خواص العزل الكهربائي لمادة تيتانيت الرصاص PbTiO3 [PDF]
تم تحضير مادة تيتانيت الرصاصPbTiO3 باستخدام طريقة تفاعل الحالة الصلبة. في هذه الطريقة تم حرق خليط المركبين (PbO : TiO2 ) وبنسبة مولية [1 : 1] بدرجة حرارة حرق 900 оC ولمدة 2 hr ؛ تم التحقق من تبلور ونمو الطور الرباعي لمادة PbTiO3 ((c/a=1.039 باستخدام ...
د.جاسم محمد ياسين ألنعيمي
doaj
First-principles study of stability and vibrational properties of tetragonal PbTiO_3
A first-principles study of the vibrational modes of PbTiO_3 in the ferroelectric tetragonal phase has been performed at all the main symmetry points of the Brillouin zone (BZ).
Alberto García +22 more
core +1 more source
Structural and dielectric study of the Na0.5Bi0.5TiO3–PbTiO3 and K0.5Bi0.5TiO3–PbTiO3 systems [PDF]
A study of the Na 0.5 Bi 0.5 TiO 3 –PbTiO 3 and K 0.5 Bi 0.5 TiO 3 -PbTiO 3 systems has been carried out using X-ray diffraction, differential scanning calorimetry and dielectric measurements. The limits of the rhombohedral (Na 0.5 Bi 0.5 TiO 3 -rich side) and tetragonal (PbTiO 3 -rich side ...
Elkechai, Omar +4 more
openaire +2 more sources
Ferroelectric Hf0.5Zr0.5O2 epitaxial thin films exhibit a non‐volatile, electrically controlled thermal conductivity enabled by the coupling between oxygen vacancy migration, acting as phonon scatterers, and ferroelectric polarization, acting as ion migration valve.
Dídac Barneo +13 more
wiley +1 more source
Direct evidence for ferroelectric polar distortion in ultrathin lead titanate perovskite films
X-ray photoelectron diffraction is used to directly probe the intra-cell polar atomic distortion and tetragonality associated with ferroelectricity in ultrathin epitaxial PbTiO3 films. Our measurements, combined with ab-initio calculations, unambiguously
A. Munkholm +13 more
core +2 more sources
Lattice dynamics of BaTiO3, PbTiO3 and PbZrO3: a comparative first-principles study [PDF]
The full phonon dispersion relations of lead titanate and lead zirconate in the cubic perovskite structure are computed using first-principles variational density-functional perturbation theory, with ab initio pseudopotentials and a plane-wave basis set.
Cockayne, E. +3 more
core +2 more sources
High Curie temperature BiInO3-PbTiO3 films [PDF]
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
Smart Closed‐Loop Systems in Personalized Healthcare: Advances and Outlook
A smart closed‐loop e‐textile integrates multimodal sensing, onboard processing, wireless communication, and wearable power to enable real‐time physiological/biochemical monitoring and feedback‐controlled therapy. ABSTRACT Smart textiles represent a revolutionary frontier in healthcare, seamlessly blending fabric and advanced technologies to create ...
Safoora Khosravi +12 more
wiley +1 more source

