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The c(2$\times$2) reconstruction of (001) PbTiO$_3$ surfaces is studied by means of first principles calculations for paraelectric (non-polar) and ferroelectric ([001] polarized) films. Analysis of the atomic displacements in the…

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

We present the microscopic theory of improper multiferroicity in BiMnO3, which can be summarized as follows: (1) the ferroelectric polarization is driven by the hidden antiferromagnetic order in the otherwise centrosymmetric C2/c structure;…

Materials Science · Physics 2010-11-01 I. V. Solovyev , Z. V. Pchelkina

Against expectations, robust switchable ferroelectricity has been recently observed in ultrathin (1 nm) ferroelectric films exposed to air [V. Garcia $et$ $al.$, Nature {\bf 460}, 81 (2009)]. Based on first-principles calculations, we show…

Mesoscale and Nanoscale Physics · Physics 2012-01-10 N. C. Bristowe , Massimiliano Stengel , P. B. Littlewood , J. M. Pruneda , Emilio Artacho

Materials with coexisting and coupled ferroelectric and magnetic orders are rare. Here we show, using density functional theory calculations, that inducing Fe$_\mathrm{La}$ antisites into non-ferroelectric and antiferromagnetic LaFeO$_3$…

Materials Science · Physics 2025-08-13 Souren Majani , Harish K. Singh , Ulrich Aschauer

Multiferroic properties of orthorhombic HoMnO3 (Pbnm space group) are significantly modified by epitaxial compressive strain along the a-axis. We are able to focus on the effect of strain solely along the a-axis by using an YAlO3 (010)…

To minimize their electrostatic energy, insulating ferroelectric films tend to break up into nanoscale ``Kittel'' domains of opposite polarization that are separated by uncharged 180$^\circ$ domain walls. Here, I report on self-consistent…

Mesoscale and Nanoscale Physics · Physics 2022-10-14 W. A. Atkinson

We investigated the magnetic structure of an orthorhombic YMnO3 thin film by resonant soft x-ray and hard x-ray diffraction. We observed a temperature-dependent incommensurate magnetic reflection below 45 K and a commensurate…

Strongly Correlated Electrons · Physics 2012-02-07 H. Wadati , J. Okamoto , M. Garganourakis , V. Scagnoli , U. Staub , Y. Yamasaki , H. Nakao , Y. Murakami , M. Mochizuki , M. Nakamura , M. Kawasaki , Y. Tokura

The magnetic structure of multiferroic Ni$_3$V$_2$O$_8$ has been investigated using non-resonant X-ray magnetic scattering. Incident circularly polarized X-rays combined with full polarization analysis of the scattered beam is shown to…

Strongly Correlated Electrons · Physics 2015-05-18 F. Fabrizi , H. C. Walker , L. Paolasini , F. de Bergevin , T. Fennell , N. Rogado , R. J. Cava , Th. Wolf , M. Kenzelmann , D. F. McMorrow

While defects are unavoidable in crystals and often detrimental to material performance, they can be a key ingredient for inducing functionalities when tailored. Here, we demonstrate that an A-site-deficient perovskite Y$_{1/3}$TaO$_3$…

The bistability of charge polarization in ferroelectric materials has long been the basis of ferroelectric devices. However, the ferroelectricity tends to be vanishing as the thickness of materials is reduced to a few nanometers or thinner…

Materials Science · Physics 2023-12-22 Guoliang Yu , Shengxian Li , Anlian Pan , Mingxing Chen , Zhenyu Zhang

Anti-phase boundaries (APBs) normally form as a consequence of the initial growth conditions in all spinel ferrite thin films. The presence of APBs in epitaxial films of the inverse spinel Fe3O4 alters their electronic and magnetic…

The crystal structure of BiFeO3/BaxSr1-xTiO3 (BFO/BST) heterostructures with x = 0.2, 0.6 and 0.8, grown on single-crystal MgO (001) substrate was investigated by x-ray diffraction and Raman spectroscopy in order to determine the influence…

Manipulating magnetic domains is essential for many technological applications. Recent breakthroughs in Antiferromagnetic Spintronics brought up novel concepts for electronic device development. Imaging antiferromagnetic domains is of key…

Mesoscale and Nanoscale Physics · Physics 2018-11-30 Min Gyu Kim , Hu Miao , Bin Gao , S. -W. Cheong , C. Mazzoli , A. Barbour , Wen Hu , S. B. Wilkins , I. K. Robinson , M. P. M Dean , V. Kiryukhin

The coexistence and coupling of magnetic and ferroelectric orderings in single phase multiferroics has evinced enormous scientific interest as it involves breaking of time reversal and space inversion symmetries in the same material. The…

We study cubic ferroelectrics films that become uniaxial with a polar axis perpendicular to the film because of a misfit strain due to a substrate. The main present result is the analytical account for the elastic anisotropy as well as the…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 A. M. Bratkovsky , A. P. Levanyuk

We investigate the polarization switching mechanism in ferroelectric-dielectric (FE-DE) stacks and its dependence on the dielectric thickness (TDE). We fabricate HZO-Al2O3 (FE-DE) stack and experimentally demonstrate a decrease in remnant…

Applied Physics · Physics 2021-10-04 Atanu K. Saha , Mengwei Si , Peide D. Ye , Sumeet K. Gupta

Nanoscale polarization switching in ferroelectric materials by Piezoresponse Force Microscopy (PFM) in weak and strong indentation limits is analyzed using exact solutions for electrostatic and coupled electroelastic fields below the tip.…

Materials Science · Physics 2009-11-10 Sergei V. Kalinin , A. Gruverman , J. Shin , A. P. Baddorf , E. Karapetian , M. Kachanov

In antiferromagnetically coupled multilayers with perpendicular anisotropy unusual multidomain textures can be stabilized due to a close competition between long-range demagnetization fields and short-range interlayer exchange coupling. In…

Mesoscale and Nanoscale Physics · Physics 2011-09-30 N. S. Kiselev , U. K. Roessler , A. N. Bogdanov , O. Hellwig

The properties of a ferroelectric, (001)-oriented, thin film clamped to a substrate are investigated analytically and numerically. The emphasis is on the tetragonal, polydomain, ferroelectric phase, using a three domain structure, as is…

Materials Science · Physics 2019-02-08 E. P. Houwman , K. Vergeer , G. Koster , G. Rijnders

We show that nano-scale variations of the order parameter in strongly-correlated systems can induce local spatial regions such as domain walls that exhibit electronic properties representative of a different, but nearby, part of the phase…

Strongly Correlated Electrons · Physics 2009-11-10 M. S. Rzchowski , Robert Joynt
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