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Properties of (BaTiO$_3$)$_1$/(BaZrO$_3$)$_n$ ferroelectric superlattices (SLs) with $n = {}$1--7 grown in the [001] direction are calculated from first principles within the density functional theory. It is revealed that the…

Materials Science · Physics 2013-06-20 Alexander I. Lebedev

We have fabricated PbTiO$_{3}$/SrRuO$_{3}$ superlattices with ultra-thin SrRuO$_{3}$ layers. Due to the superlattice geometry, the samples show a large anisotropy in their electrical resistivity, which can be controlled by changing the…

Materials Science · Physics 2015-06-03 S. J. Callori , J. Gabel , D. Su , J. Sinsheimer , M. V. Fernandez-Serra , M. Dawber

The effect of epitaxial strain on the phonon spectra, crystal structure, spontaneous polarization, dielectric, piezoelectric, and elastic properties of (001)-oriented ferroelectric (BaTiO$_3$)$_m$/(SrTiO$_3$)$_n$ superlattices ($m = n =…

Materials Science · Physics 2016-07-11 Alexander I. Lebedev

We report a first-principles study of (BaTiO${_3}$)$_m$/(BaO)$_n$ superlattices for a wide range of periodicities $m/n$. We show that such a system develops a polar zone-center instability for sufficiently large \textit{m}/\textit{n} ratio,…

Materials Science · Physics 2015-05-18 Eric Bousquet , Javier Junquera , Philippe Ghosez

Composites of ferroelectric and paraelectric perovskites have attracted a lot of attention due to their application potential in energy storage as well as novel computing and memory devices. So far the main focus of research has been on…

Materials Science · Physics 2025-07-23 Sheng-Han Teng , Chinwendu Anabaraonye , Anna Grünebohm

We carry out first-principles calculations for CaTiO$_3$/BaTiO$_3$ superlattices with epitaxial strain corresponding to growth on a SrTiO$_3$ substrate, and consider octahedral rotations as well as ferroelectric distortions. The…

Materials Science · Physics 2015-05-19 Xifan Wu , Karin M. Rabe , David Vanderbilt

First-principles density functional calculations are performed to investigate the interplay between inplane strains and interface effects in 1by1 PbTiO3/SrTiO3 and BaTiO3/SrTiO3 superlattices of tetragonal symmetry. One particular emphasis…

Materials Science · Physics 2010-04-19 Yanpeng Yao , Huaxiang Fu

Results from dielectric and structural measurements on epitaxial SrTiO$_3$/BaZrO$_3$ superlattices reveal properties that cannot be explained simply in terms of those measured on single films of the constituent materials. For large…

Materials Science · Physics 2009-11-10 Hans M. Christen , Eliot D. Specht , Sherwood S. Silliman , K. S. Harshavardhan

Ferroelectrics are characterized by domain structures as are other ferroics. At the nanoscale though, ferroelectrics may exhibit non-trivial or exotic polarization configurations under proper electrostatic and elastic conditions. These…

Materials Science · Physics 2019-11-15 Saul Estandia , Florencio Sanchez , Matthew F. Chisholm , Jaume Gazquez

We report on growth and ferroelectric (FE) properties of superlattices (SLs) composed of the FE BaTiO3 and the paraelectric (PE) CaTiO3. Previous theories have predicted that the polarization in (BaTiO3)n/(CaTiO3)n SLs increases as the…

Materials Science · Physics 2013-09-09 Sung Seok A. Seo , Ho Nyung Lee

We propose to insert TiO layers to perovskite ATiO$_{3}$ to form a superlattice and use first-principles calculations to investigate its basic properties. Our computational analysis shows that the structure, which consists of repeated…

Materials Science · Physics 2020-02-11 S. Raza , R. Zhang , N. Zhang , Z. Li , L. Liu , F. Zhang , D. Wang , C. -L. Jia

Understanding ferroelectricity is of both fundamental and technological importance to further stimulate the development of new materials designs and manipulations. Here, we perform an in-depth first-principle study on the well-known…

Materials Science · Physics 2022-07-12 Simon Mellaerts , Jin Won Seo , Valeri Afanas'ev , Michel Houssa , Jean-Pierre Locquet

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.…

Materials Science · Physics 2009-12-16 Serge M. Nakhmanson , K. M. Rabe , David Vanderbilt

Superlattices composed of ferromagnetic Pr0.85Ca0.15MnO3 and ferroelectric Ba0.6Sr0.4TiO3 layers were fabricated on (100) SrTiO3 substrates by a pulsed-laser deposition method. The capacitance and resistive parts of the samples were…

Materials Science · Physics 2009-11-10 P. Murugavel , D. Saurel , W. Prellier , Ch. Simon , B. Raveau

(LaNiO3)n/(SrMnO3)2 superlattices were grown using ozone-assisted molecular beam epitaxy. In situ reflection high energy electron diffraction and x-ray scattering has been used to characterize the structural properties of the superlattices,…

Materials Science · Physics 2009-11-13 S. J. May , T. S. Santos , A. Bhattacharya

High-quality Pr0.7Ca0.3MnO3/SrRuO3 superlattices with ultrathin layers were fabricated by pulsed laser deposition on SrTiO3 substrates. The superlattices were studied by atomically resolved scanning transmission electron microscopy,…

Strongly Correlated Electrons · Physics 2015-05-27 M. Ziese , I. Vrejoiu , E. Pippel , E. Nikulina , D. Hesse

SrTiO$_3$ is an incipient ferroelectric on the verge of a polar instability, which is avoided at low temperatures by quantum fluctuations. Within this unusual quantum paraelectric phase, superconductivity persists despite extremely dilute…

Superconductivity · Physics 2019-09-12 Ryan Russell , Noah Ratcliff , Kaveh Ahadi , Lianyang Dong , Susanne Stemmer , John W. Harter

Since its original prediction 25 years ago, room-temperature out-of-plane ferroelectricity in compressively strained SrTiO3 remains an ongoing pursuit. In this work, we investigate the structural, electrical and electromechanical properties…

Artificial PbTiO$_{3}$/SrTiO$_{3}$ superlattices were constructed using off-axis RF magnetron sputtering. X-ray diffraction and piezoelectric atomic force microscopy were used to study the evolution of the ferroelectric polarization as the…

Materials Science · Physics 2009-11-11 M. Dawber , C. Lichtensteiger , M. Cantoni , M. Veithen , P. Ghosez , K. Johnston , K. M. Rabe , J. -M. Triscone

Weakly coupled ferroelectric/dielectric superlattice thin film heterostructures exhibit complex nanoscale polarization configurations that arise from a balance of competing electrostatic, elastic, and domain-wall contributions to the free…

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