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The effect of in-plane strain on the nonlinear dielectric properties of SrTiO3 epitaxial thin films is calculated using density-functional theory within the local-density approximation. Motivated by recent experiments, the structure,…

Materials Science · Physics 2009-11-10 Armin Antons , J. B. Neaton , Karin M. Rabe , David Vanderbilt

Recent works have shown that the domain walls of room-temperature multiferroic BiFeO3 (BFO) thin films can display distinct and promising functionalities. It is thus important to understand the mechanisms underlying domain formation in…

Materials Science · Physics 2015-05-14 C. J. M. Daumont , S. Farokhipoor , A. Ferri , J. C. Wojdel , Jorge Iniguez , B. J. Kooi , B. Noheda

We report on a systematic study of the growth of epitaxial TiO2 films deposited by pulsed laser deposition on Ti-terminated (001) SrTiO3 single crystals. By using in-situ reflection high energy electron diffraction, low energy electron…

Materials Science · Physics 2015-05-27 M. Radovic , M. Salluzzo , Z. Ristic , R. Di Capua , N. Lampis , R. Vaglio , F. Miletto Granozio

Vacancy dynamics in oxides are vital for understanding redox reactions and resulting memristive effects or catalytic activity. We present a method to track and drive vacancies which we apply to metadynamics simulation of oxygen vacancies…

Materials Science · Physics 2013-12-19 Jan M. Knaup , Michael Wehlau , Thomas Frauenheim

A comprehensive analysis is presented for the diffusivity of oxygen defects and oxygen self-diffusion in ThO$-2$. The migration energy and diffusivity of oxygen defects with nominal charges have been investigated using density functional…

Materials Science · Physics 2025-10-21 Maniesha Singh , Anter El-Azab

Recently, lattice dynamics of the highly strained europium monoxide, as a promising candidate for strong ferroelectric-ferromagnet material, applied in the next-generation storage devices, attracted huge attention in the solid-state…

Materials Science · Physics 2019-09-23 Alireza Kashir , Hyeon-Woo Jeong , Woochan Jung , Yoon Hee Jeong , Gil-Ho Lee

With the motive of unraveling the origin of native vacancy induced magnetization in ferroelectric perovskite oxide systems, here we explore the consequences of electronic structure modification in magnetic ordering of oxygen deficient…

High entropy oxides (HEOs) are a class of materials with vast compositional space and tunable properties, making them attractive for applications in thermoelectrics, magnetism, ionic conduction, and beyond. However, their metastable nature…

The complex interaction between the intrinsic and extrinsic state variables of strongly correlated insulator thin films is drawing interest as it shows memristive behavior that may be used in neuromorphic computing. In this study, we have…

Materials Science · Physics 2024-10-04 Mousri Paul , Sabyasachi Karmakar , Jay Sharma , Satyaban Bhunia , Supratic Chakraborty

We report on a systematic study of strain effects on the transport properties and the ferromagnetic transition temperature $T_{c}$ of high-quality La$_{0.9}$Sr$_{0.1}$MnO$_{3}$ thin films epitaxially grown on (100) SrTiO$_{3}$ substrates.…

Materials Science · Physics 2009-11-07 X. J. Chen , S. Soltan , H. Zhang , H. -U. Habermeier

We demonstrate that SrRuO3 and CaRuO3 thin films undergo a room temperature structural phase transition driven by the substrate imposed epitaxial biaxial strain. As tensile strain increases, ARuO3 (A=Ca, Sr) films transform from the…

Materials Science · Physics 2009-11-13 Arturas Vailionis , Wolter Siemons , Gertjan Koster

Epitaxial strain is a proven route to enhancing the properties of complex oxides, however, the details of how the atomic structure accommodates strain are poorly understood due to the difficulty of measuring the oxygen positions in thin…

Materials Science · Physics 2015-05-18 S. J. May , J. -W. Kim , J. M. Rondinelli , E. Karapetrova , N. A. Spaldin , A. Bhattacharya , P. J. Ryan

To realize a chemical diffusion experiment for simple quantitative analysis of one-dimensional diffusion profiles requires the fabrication of a planar and chemically sharp interface between two phases, one serving as the diffusion source…

Transition-metal oxides exhibiting a bistable resistance state are attractive for non-volatile memory applications. The relevance of oxygen vacancies (VO) for the resistance-change memory was investigated with x-ray fluorescence, infrared…

Materials Science · Physics 2007-07-05 M. Janousch , G. I. Meijer , U. Staub , B. Delley , S. F. Karg , B. P. Andreasson

Vanadium sesquioxide (V2O3) is an archetypal Mott insulator in which the atomic positions and electron correlations change as temperature, pressure or doping are varied giving rise to different structural, magnetic or electronic phase…

Strongly Correlated Electrons · Physics 2024-06-12 P. Homm , M. Menghini , J. W. Seo , S. Peters , J. -P. Locquet

We have investigated the out-of-plane lattice relaxation related to the ferroelectric transitions in epitaxial BaTiO$_3$ (BTO) films using synchrotron X-ray diffraction. Under either compressive strain or tensile strain, there is evidence…

Materials Science · Physics 2007-05-23 Feizhou He , Barrett O. Wells

For applying tensile or compressive uniaxial strain to functional thin films, we propose a novel approach in combining a piezoelectric-based device and a technical metallic substrate used widely in the 2nd generation coated conductors (i.e.…

We have studied the cubic to tetragonal phase transition in epitaxial SrTiO$_3$ films under various biaxial strain conditions using synchrotron X-ray diffraction. Measuring the superlattice peak associated with TiO$_6$ octahedra rotation in…

Condensed Matter · Physics 2007-05-23 Feizhou He , B. O. Wells , S. M. Shapiro , M. v. Zimmermann , A. Clark , X. X. Xi

Photoinduced reductions in the oxygen vacancy concentration were leveraged to increase the ferroelectric phase fraction of $\mathrm{Hf_{0.5}Zr_{0.5}O_2}$ (HZO) thin-films. Modest ($\sim 0.02-0.77~\mathrm{mJ/\mu m^2}$) laser doses of visible…

Electrodynamic properties of La-doped SrTiO3 thin films with controlled elemental vacancies have been investigated using optical spectroscopy and thermopower measurement. In particular, we observed a correlation between the polaron…

Materials Science · Physics 2015-05-13 Woo Seok Choi , Hyang Keun Yoo , Hiromichi Ohta
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