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Functional devices with ultrathin ferroelectric layers have been attracted as a promising candidate for next-generation memory and logic device applications. Using the ultrathin ferroelectric layers, particularly approaching the…

The temperature dependence of the electrical resistivity of the heterostructures consisting of single crystalline LaMnO$_3$ samples with different crystallographic orientations covered by the epitaxial ferroelectric…

For the ferroelectric perovskite compounds BaTiO3 and PbTiO3, we have studied the effects of external electric fields on the structural properties of the (001) surfaces. The field-induced changes in the surface interlayer spacings and…

材料科学 · 物理学 2009-10-31 B. Meyer , David Vanderbilt

The electrocaloric properties of BaTiO$_3$-based lead-free ferroelectric materials have been widely investigated. One approach to achieving a large electrocaloric response is to exploit the substantial polarization change associated with…

材料科学 · 物理学 2025-07-11 M. Karakaya , I. Gurbuz , L. Fulanovic , U. Adem

Diffraction analysis in four dimensional scanning transmission electron microscopy now enables the mapping of local structures including symmetry, strain, and polarization of materials. However, measuring the distribution of these…

材料科学 · 物理学 2024-06-19 Tim B. Eldred , Jacob G. Smith , Wenpei Gao

The intrinsic iron(III) impurity center in polycrystalline lead titanate was investigated by means of high-frequency electron paramagnetic resonance (EPR) spectroscopy in order to determine the local-environment sensitive fine structure…

Perovskite ferroelectric oxides are usually considered to be brittle materials, however, recent work [Dong et al., Science 366, 475 (2019)] demonstrated the super-elasticity in the freestanding BaTiO3 thin films. This property may originate…

材料科学 · 物理学 2020-04-15 Changqing Guo , Guohua Dong , Ziyao Zhou , Ming Liu , Houbing Huang , Jiawang Hong , Xueyun Wang

Lead-free Ba0.9Sr0.1Ti0.9Sn0.1O3 (BSTSn) ceramic was prepared by the sol gel method. X-ray diffraction measurement at room temperature reveals the single-phase formation with tetragonal structure refined in the P4mm space group. Raman…

材料科学 · 物理学 2023-06-13 S. Khardazi , H. Zaitouni , B. Asbani , D. Mezzane , M. Amjoud , E. Choukri , S. Terenchuk , A. Erramli , Y. Gagou

The temperature-dependent polarization of SrTiO_3 thin films is investigated using confocal scanning optical microscopy. A homogeneous out-of-plane and inhomogeneous in-plane ferroelectric phase are identified from images of the linear…

材料科学 · 物理学 2009-11-07 Oleg Tikhomirov , Hua Jiang , Jeremy Levy

We show with first-principles molecular dynamics the persistence of intrinsic $\langle111\rangle$ Ti off-centerings for BaTiO$_3$ in its cubic paraelectric phase. Intriguingly, these are inconsistent with the Pm$\bar 3$m space group often…

Perovskite oxides are promising for energy and quantum technologies, but wide-gap hosts such as NaAlO3 suffer from deep-UV absorption and limited carrier transport. Using first-principles GGA+U+SOC calculations, we investigate Eu3+-, Gd3+-,…

材料科学 · 物理学 2025-10-10 Muhammad Imran , Sikander Azam , Qaiser Rafiq , Amin Ur Rahman

The structural, dielectric and ferroelectric properties of lead-free (Na0.5-xKxBi0.5-xLax)TiO3 powders synthesized by sol-gel self-combustion method were investigated. Rietveld refinement of Synchrotron x-ray diffraction data confirms pure…

PbTiO$_3$ is a ferroelectric perovskite semiconductor with favourable electronic and optical properties, making it suitable for a wide range of applications, including photo-catalysis and (opto)electronic devices. Despite its relevance, an…

材料科学 · 物理学 2025-12-03 Pietro Pacchioni , Lorenzo Varrassi , Cesare Franchini

BaTiO3 appears in cubic and hexagonal variants, both of which are centrosymmetric. Samples of cubic BaTiO3 are known to exhibit breaking of the centric symmetry locally and globally. It has been proposed that the local symmetry breaking…

材料科学 · 物理学 2016-03-07 Sina Hashemizadeh , Alberto Biancoli , Dragan Damjanovic

Ab initio calculations are utilized as an input to develop a simple model of polarization in epitaxial short-period CaTiO3/SrTiO3/BaTiO3 superlattices grown on a SrTiO3 substrate. The model is then combined with a genetic algorithm…

材料科学 · 物理学 2009-12-16 Serge M. Nakhmanson , Karin Rabe , David Vanderbilt

Low-loss crystals with defects due to paramagnetic or rare earth impurity ions is a major area of investigation for quantum hybrid systems at both optical and microwave frequencies. In this work we examine the single crystal yttrium…

材料科学 · 物理学 2017-08-02 N. C. Carvalho , M. Goryachev , J. Krupka , P. Bushev , M. E. Tobar

The crystal structures of the Sr1-xCaxRuO3 perovskites are investigated using both long range and local structural probes. High resolution synchrotron powder X-ray diffraction characterization at ambient temperature shows that the materials…

材料科学 · 物理学 2020-03-25 Loi T. Nguyen , Milinda Abeykoon , Jing Tao , Saul Lapidus , R. J. Cava

Piezoelectric and ferroelectric ceramics with a high Curie temperature (Tc) have attracted a growing attention owning to their applications under severe environments. In this work, phase structure, dielectric, ferroelectric and…

We have recently predicted and subsequently verified experimentally by specific heat measurements that EuTiO3 undergoes a structural phase transition at elevated temperature TS = 282 K. The origin of the phase transition has been attributed…

材料科学 · 物理学 2012-05-25 J. Köhler , R. Dinnebier , A. Bussmann-Holder

Composition-dependent structural and polar properties of epitaxial short-period CaTiO_3/SrTiO_3/BaTiO_3 superlattices grown on a SrTiO_3 substrate are investigated with first-principles density-functional theory computational techniques.…

材料科学 · 物理学 2009-12-16 Serge M. Nakhmanson , K. M. Rabe , David Vanderbilt