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A combined experimental and computational investigation of coupling between polarization and epitaxial strain in highly polar ferroelectric PbZr_0.2Ti_0.8O_3 (PZT) thin films is reported. A comparison of the properties of relaxed…

We report on the dielectric properties of epitaxial [001] and [100]-textured thin films of antiferromagnetic orthorhombic YMnO3 and their variation under compressive epitaxial strain. It is found that weakly strained YMnO3 films are…

Materials Science · Physics 2010-12-15 J. Fontcuberta , I. Fina , L. Fàbrega , F. Sánchez , X. Martí , V. Skumryev

We report on the crystal structure and ferroelectric properties of epitaxial ZrO$_2$ films ranging from 7 to 42 nm thickness grown on La$_{0.67}$Sr$_{0.33}$MnO$_3$-buffered (110)-oriented SrTiO$_3$ substrate. By employing X-ray diffraction,…

By performing first-principles calculations, we systematically explore the effect of epitaxial strain on the structure and properties of multiferroic TbMnO3. We show that, although the unstrained bulk TbMnO3 displays a non-collinear…

Materials Science · Physics 2015-05-20 Yusheng Hou , Jihui Yang , Xingao Gong , Hongjung Xiang

The ground-state polarization of PbTiO3 thin films is studied using a microscopic effective Hamiltonian with parameters obtained from first-principles calculations. Under short-circuit electrical boundary conditions, (001) films with…

Materials Science · Physics 2009-10-31 Ph. Ghosez , K. M. Rabe

Multiferroic BiFeO3 epitaxial films with thickness ranging from 40 nm to 960 nm were grown by pulsed laser deposition on SrTiO3 (001) substrates with SrRuO3 bottom electrodes. X-ray characterization shows that the structure evolves from…

Materials Science · Physics 2009-11-13 Dae Ho Kim , Ho Nyung Lee , Michael D. Biegalski , Hans M. Christen

We investigate the variation of the spontaneous ferroelectric polarization with epitaxial strain for BaTiO$_3$, PbTiO$_3$, LiNbO$_3$, and BiFeO$_3$ using first principles calculations. We find that while the strain dependence of the…

Materials Science · Physics 2007-05-23 Claude Ederer , Nicola A. Spaldin

X-ray analysis of ferroelectric thin layers of Ba1/2Sr1/2TiO3 with different thickness reveals the presence of internal strain gradients across the film thickness and allows us to propose a functional form for the internal strain profile.…

Materials Science · Physics 2009-11-10 G. Catalan , B. Noheda , J. McAneney , L. Sinnamon , J. M. Gregg

Size-driven transition of an antiferroelectric into a polar ferroelectric or ferrielectric state is a strongly debated issue from both experimental and theoretical perspectives. While critical thickness limits for such transitions have been…

The evolution of tetragonality with thickness has been probed in epitaxial c-axis oriented PbTiO3 films with thicknesses ranging from 500 down to 24 Angstroms. High resolution x-ray pointed out a systematic decrease of the c-axis lattice…

Materials Science · Physics 2009-11-10 Celine Lichtensteiger , Jean-Marc Triscone , Javier Junquera , Philippe Ghosez

Density functional calculations are performed to investigate the experimentally-reported field-induced phase transition in thin-film ZrO2 (J. Muller et al., Nano. Lett. 12, 4318). We find a small energy difference of ~ 1 meV/f.u. between…

Materials Science · Physics 2014-10-22 Sebastian E. Reyes-Lillo , Kevin F. Garrity , Karin M. Rabe

We report the relationship between epitaxial strain and the crystallographic orientation of the in-phase rotation axis and A-site displacements in Pbnm-type perovskite films. Synchrotron diffraction measurements of EuFeO3 films under strain…

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…

Epitaxial strain is a powerful means to engineer emergent phenomena in thin films and heterostructures. Here, we demonstrate that KTaO3, a cubic perovskite in bulk form, can be epitaxially strained into a highly tunable ferroelectric. KTaO3…

Whereas ferroelectricity may vanish in ultra-thin ferroelectric films, it is expected to emerge in ultra-thin anti-ferroelectric films, sparking people's interest in using antiferroelectric materials as an alternative to ferroelectric ones…

Heterostructures consisting of PbZr0.2Ti0.8O3 and PbZr0.4Ti0.6O3 films grown on a SrTiO3 (100) substrate with a SrRuO3 bottom electrode were prepared by pulsed laser deposition. Using the additional interface provided by the ferroelectric…

Materials Science · Physics 2009-03-27 Ludwig Geske , I. B. Misirlioglu , Ionela Vrejoiu , Marin Alexe , Dietrich Hesse

The structural evolution of epitaxial mono-oriented (i.e. with the c-axis perpendicular to the interface) ferroelectric Pb(Zr0.2,Ti0.8)O3 thin film has been investigated, using high resolution, temperature dependent, X-ray diffraction. The…

Materials Science · Physics 2009-11-13 Pierre-Eymeric Janolin , Bernard Fraisse , Francoise Le Marrec , Brahim Dkhil

We use first principles density functional theory calculations to investigate the effect of biaxial strain in the low-temperature structural and ferroelectric properties of [111]-oriented SrTiO$_3$. We find that [111] biaxial strain,…

Materials Science · Physics 2019-03-27 Sebastian E. Reyes-Lillo , Karin M. Rabe , Jeffrey B. Neaton

Since its discovery, ferroelectric hafnia has been extensively studied due to its CMOS-compatibility and ability to remain polarized at sub-10 nm thicknesses. The ferroelectric behaviour is generally attributed to a polar orthorhombic…

Materials Science · Physics 2026-04-17 Johanna van Gent Gonzalez , Ewout van der Veer , Yulei Li , Daniel A. Chaney , Beatriz Noheda

We report on nanoscale strain gradients in ferroelectric HoMnO3 epitaxial thin films, resulting in a giant flexoelectric effect. Using grazing-incidence in-plane X-ray diffraction, we measured strain gradients in the films, which were 6 or…

Materials Science · Physics 2011-09-12 Daesu Lee , A. Yoon , S. Y. Jang , J. -G. Yoon , J. -S. Chung , M. Kim , J. F. Scott , T. W. Noh
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