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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

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

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

The effect of layer-by-layer heterostructuring and epitaxial strain on lattice instabilities and related ferroelectric properties is investigated from first principles for the [001]-(PbTiO$_3$)$_1$(PbZrO$_3$)$_1$ superlattice and pure…

Materials Science · Physics 2009-11-10 Claudia Bungaro , K. M. Rabe

Short period ferroelectric/ferroelectric BaTiO3 (BTO)/PbTiO3 (PTO) superlattices are studied using density functional theory. Contrary to the trends in paraelectric/ferroelectric superlattices the polarization remains nearly constant for…

Materials Science · Physics 2012-03-12 Valentino R. Cooper , Karin M. Rabe

The spontaneous polarization of epitaxial BaTiO$_3$/SrTiO$_3$ superlattices is studied as a function of composition using first-principles density functional theory within the local density approximation. With the in-plane lattice parameter…

Materials Science · Physics 2009-11-07 J. B. Neaton , K. M. Rabe

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

Ferroelectric materials are characterized by degenerate ground states with multiple polarization directions. In a ferroelectric capacitor this should manifest as equally favourable up and down polarization states. However, this ideal…

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

Layered perovskites are a versatile class of ferroelectrics with their structural anisotropy reflected in unusual electrostatics that give rise to exceptional ferroelectric properties. These materials fall into four main families:…

Materials Science · Physics 2025-08-29 Elzbieta Gradauskaite

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.…

Superlattices composed of ferromagnetic La0.6Sr0.4MnO3 and ferroelectric 0.7Pb(Mg0,33Nb0.66)O3 0.3(PbTiO3) layers were fabricated on (100) LaAlO3 substrates by pulsed laser deposition technique. Ferromagnetic and frequency independent…

Materials Science · Physics 2007-05-23 Ayan Roy Chaudhuri , R. Ranjith , S. B. Krupanidhi , R. V. K Mangalam , A. Sundaresan

The wealth of complex polar topologies recently found in nanoscale ferroelectrics result from a delicate balance between the materials intrinsic tendency to develop a homogeneous polarization and the electric and mechanic boundary…

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

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

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

Layers of perovskites, found in 3D materials, 2D heterostructures, and nanotubes, often distort from high symmetry to facilitate dipole polarisation that is exploitable in many applications. Using density-functional theory calculations,…

Materials Science · Physics 2025-11-14 Shaowen Xu , Jeffrey R. Reimers , Fanhao Jia , Wei Ren

2D Ruddlesden-Popper perovskites are compelling platforms for quantum-confined optoelectronics. However, polar order in iodide composition remains rare under ambient conditions, and the mechanistic origin of anomalous photoluminescence in…

Hafnia-based ferroelectrics are revolutionizing the data storage industry and the field of ferroelectrics, with improved materials and devices being reported monthly. However, full understanding and control has not been reached yet and the…

Almost all oxide two-dimensional electron gases are formed in SrTiO$_3$-based heterostructures and the study of non-SrTiO$_3$ systems is extremely rare. Here, we report the realization of a two-dimensional electron gas in a CaTiO$_3$-based…