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Above-bandgap femtosecond optical excitation of a ferroelectric/dielectric BaTiO3/CaTiO3 superlattice leads to structural responses that are a consequence of the screening of the strong electrostatic coupling between the component layers.…

First-principles techniques are used to investigate the behavior of BiFeO$_{3}$/LaFeO$_{3}$ perovskite oxide superlattices epitaxially grown on a (001)-SrTiO$_3$ substrate. The calculations show that 1/1 superlattices exhibit a $Pmc2_1$…

Materials Science · Physics 2015-06-16 Zeila Zanolli , Jacek C. Wojdel , Jorge Iniguez , Philippe Ghosez

In the early 2000s, low dimensional systems were predicted to have topologically nontrivial polar structures, such as vortices or skyrmions, depending on mechanical or electrical boundary conditions. A few variants of these structures have…

Ferroelectrics subject to suitable electric boundary conditions present a steady negative capacitance response. When the ferroelectric is in a heterostructure, this behavior yields a voltage amplification in the other elements, which…

Materials Science · Physics 2022-11-23 Mónica Graf , Hugo Aramberri , Pavlo Zubko , Jorge Íñiguez

A series of superlattices and trilayers composed of ferromagnetic and ferroelectric or paraelectric layers were grown on (100) SrTiO3 by the pulsed laser deposition technique. Their structural and magneto-electric properties were examined.…

Materials Science · Physics 2009-11-11 P. Murugavel , M. P. Singh , W. Prellier , B. Mercey , Ch. Simon , B. Raveau

We have constructed the surface phase diagram of the BaTiO$_{3}$(001) surface by employing an evolutionary algorithm for surface structure prediction, where the ferroelectric polarization is included as a degree of freedom. Among over 1000…

Materials Science · Physics 2015-12-09 Pengcheng Chen , Yong Xu , Na Wang , Artem R. Oganov , Wenhui Duan

We report the emergence of a transverse dielectric response in PbTiO$_{3}$/SrTiO$_{3}$ superlattices hosting polar vortex structures. Using second-principles simulations, we find that an electric field applied along one direction induces…

Materials Science · Physics 2025-05-30 Fernando Gómez-Ortiz , Ramamoorthy Ramesh , Javier Junquera

PbTiO$_3$/SrTiO$_3$ artificial superlattices recently emerged as a prototypical platform for the emergence and study of polar topologies. While previous studies mainly focused on the polar textures inherent to the ferroelectric PbTiO$_3$…

Materials Science · Physics 2025-10-10 Fernando Gómez-Ortiz , Louis Bastogne , Xu He , Philippe Ghosez

The stability of high-symmetry $P4mm$ polar phase in eleven ferroelectric perovskite superlattices with the polar discontinuity is studied from first principles. In most superlattices, this phase exhibits either the ferroelectric or the…

Materials Science · Physics 2021-09-03 Alexander I. Lebedev

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

Artificial superlattices of (BiFeO3)m(SrTiO3)m (m= 1 to 10 unit cells) consisting of multiferroic BiFeO3 and insulating SrTiO3 layers were fabricated on (100)-oriented SrTiO3 substrates by pulsed laser ablation. The remnant polarization and…

Materials Science · Physics 2009-11-13 R. Ranjith , B. Kundys , W. Prellier

SrTiO3 is a textbook quantum paraelectric, with ferroelectricity purportedly suppressed by quantum fluctuations of ionic positions down to the lowest temperatures. The precise real space structure of SrTiO3 at low temperature, however, has…

Materials Science · Physics 2025-09-30 Yang Zhang , Suk Hyun Sung , Nishkarsh Agarwal , Maya Gates , Cong Li , Pu Yu , Robert Hovden , Ismail El Baggari

Using density-functional theory, we demonstrate that the formal layer charges of the metallic samarium nickelate electrode influence the spontaneous ferroelectric polarization of the barium titanate in SmNiO$_3$/BaTiO$_3$ capacitors. We…

Materials Science · Physics 2024-11-18 Edith Simmen , Nicola A. Spaldin

At interfaces between oxide materials, lattice and electronic reconstructions always play important roles in exotic phenomena. In this study, the density functional theory and maximally localized Wannier functions are employed to…

Materials Science · Physics 2017-04-17 Yakui Weng , Jun-Jie Zhang , Bin Gao , Shuai Dong

We investigate the structural, electronic, transport, and thermoelectric properties of LaNiO$_3$/SrTiO$_3(001)$ superlattices containing either exclusively $n$- or $p$-type interfaces or coupled interfaces of opposite polarity by using…

Materials Science · Physics 2017-03-03 Benjamin Geisler , Ariadna Blanca-Romero , Rossitza Pentcheva

Oxide superlattices represent a potent avenue for tailoring emergent electronic phases through sophisticated interfacial charge transfer and dynamic lattice distortions. This study systematically investigates the structural and electronic…

Materials Science · Physics 2026-03-27 Rajan Gowsalya , Monirul Shaikh , Sathiyamoorthy Buvaneswaran , Saurabh Ghosh

We report second-principles simulations on the structural and energetic properties of domains in (PbTiO$_{3}$)$_{n}$/(SrTiO$_{3}$)$_{n}$ superlattices. For the explored layer thickness ($n$ ranging between 8 and 16 unit cells) and lateral…

Ferroelectric and photovoltaic properties of BiFeO3/LaFeO3 superlattices grown by pulsed laser deposition have been investigated being the bilayer thickness). For a high concentration of BiFeO3 a ferroelectric state is observed…

Materials Science · Physics 2020-12-11 J. Belhadi , S. Yousfi , M. El Marssi , D. C. Arnold , H. Bouyanfif

(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

In this work, we use density functional theory calculations to demonstrate how spontaneous electric polarizations can be induced \textit{via} a hybrid improper ferroelectric mechanism in iodide perovskites, a family well-known to display…

Materials Science · Physics 2018-06-27 Joshua Young , James M. Rondinelli