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Electron dynamics of anatase TiO$_2$ under the influence of ultrashort and intense laser field is studied using the real-time time-dependent density functional theory (TDDFT). Our findings demonstrate the effectiveness of TDDFT calculations…

Surface and ferroelectric properties of PbTiO$_3$ thin films are investigated using an interatomic potential approach with parameters computed from first-principles calculations. We show that a model developed for the bulk describes…

Materials Science · Physics 2009-11-11 M. Sepliarsky , M. G. Stachiotti , R. L. Migoni

We report on the emission of terahertz radiation by irradiation of femtosecond laser pulses in non-centrosymmetric paraelectric and ferroelectric phases of Co$_3$B$_7$O$_{13}$I boracite. The Generation of the terahertz waves in both phases…

Materials Science · Physics 2015-06-22 Y. Kinoshita , N. Kida , M. Sotome , R. Takeda , N. Abe , M. Saito , T. Arima , H. Okamoto

We calculate from first principles the nonlinear piezoelectric response of ferroelectric PbTiO3 for the case of a polarization-enhancing electric field applied along the tetragonal axis. We focus mainly on the case of fixed in-plane lattice…

Materials Science · Physics 2011-03-03 Anindya Roy , Massimiliano Stengel , David Vanderbilt

Terahertz spin waves could be generated on-demand via all-optical manipulation of magnetization by femtosecond laser pulse. Here, we present an energy balance model, which explains the energy transfer rates from laser pulse to electron bath…

Materials Science · Physics 2020-05-08 Saeedeh Mokarian Zanjani , Mehmet C. Onbaşlı

For the first time, the dielectric response of a BaTiO3 thin film under an AC electric field is investigated using time-resolved X-ray absorption spectroscopy at the Ti K-edge to clarify correlated contributions of each constituent atom on…

Materials Science · Physics 2021-02-01 S. Kato , N. Nakajima , S. Yasui , S. Yasuhara , D. Fu , J. Adachi , H. Nitani , Y. Takeichi , A. Anspoks

Based on first-principles and model calculations we investigate the effect of polar interfaces on the ferroelectric stability of thin-film ferroelectrics. As a representative model, we consider a TiO2-terminated BaTiO3 film with LaO…

Materials Science · Physics 2010-10-05 Y. Wang , M. K. Niranjan , K. Janicka , J. P. Velev , M. Ye. Zhuravlev , S. S. Jaswal , E. Y. Tsymbal

We present in-situ transmission electron microscopy observations of domain wall motion in thin freestanding potassium niobate single-crystals. We observe that not all domains of a given polarization orientation are equally switchable in…

Materials Science · Physics 2007-05-23 A. Krishnan , M. M. J. Treacy , M. E. Bisher , P. Chandra , P. B. Littlewood

Ferroic domain walls could play an important role in microelectronics, given their nanometric size and often distinct functional properties. Until now, devices and device concepts were mostly based on mobile domain walls in ferromagnetic…

Recent observations of unusual ferroelectricity in thin films of HfO_2 and related materials have attracted broad interest to the materials and led to the emergence of a number of competing models for observed behaviors. Here we develop the…

Materials Science · Physics 2018-11-27 Maya D. Glinchuk , Anna N. Morozovska , Yunseok Kim , Sergei V. Kalinin

Ferroelectric materials, upon electric field biasing, display polarization discontinuities known as Barkhausen jumps, a subclass of a more general phenomenon known as crackling noise. Herein, we follow at the nanoscale the motion of 90…

Materials Science · Physics 2021-10-27 Reinis Ignatans , Dragan Damjanovic , Vasiliki Tileli

HfO$_{2}$-based ferroelectric thin films are promising for their application in ferroelectric devices. Predicting the ultimate magnitude of polarization and understanding its switching mechanism are critical to realize the optimal…

Materials Science · Physics 2023-04-04 Yao Wu , Yuke Zhang , Jie Jiang , Limei Jiang , Minghua Tang , Yichun Zhou , Min Liao , Qiong Yang , Evgeny Y. Tsymbal

A long standing problem of domain switching process - how domains nucleate - is examined in ultrathin ferroelectric films. We demonstrate that the large depolarization fields in ultrathin films could significantly lower the nucleation…

Materials Science · Physics 2009-11-11 J. Y. Jo , D. J. Kim , Y. S. Kim , S. -B. Choe , T. K. Song , J. -G. Yoon , T. W. Noh

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

High-quality (001)-oriented (pseudo-cubic notation) ferromagnetic YTiO$_3$ thin films were epitaxially synthesized in a layer-by-layer way by pulsed laser deposition. Structural, magnetic and electronic properties were characterized by…

Materials Science · Physics 2015-09-15 Yanwei Cao , P. Shafer , Xiaoran Liu , D. Meyers , M. Kareev , S. Middey , J. W. Freeland , E. Arenholz , J. Chakhalian

The recent observation of a ferroelectric-like structural transition in metallic LiOsO$_3$ has generated a flurry of interest in the properties of polar metals. Such materials are thought to be rare because free electrons screen out the…

Materials Science · Physics 2016-02-29 Nicole A. Benedek , Turan Birol

Composite materials comprised of ferroelectric nanoparticles in a dielectric matrix are being actively investigated for a variety of functional properties attractive for a wide range of novel electronic and energy harvesting devices.…

Mesoscale and Nanoscale Physics · Physics 2017-01-11 John Mangeri , Yomery Espinal , Andrea Jokisaari , S. Pamir Alpay , Serge Nakhmanson , Olle Heinonen

Current induced magnetization manipulation is a key issue for spintronic application. Therefore, deterministic switching of the magnetization at the picoseconds timescale with a single electronic pulse represents a major step towards the…

Materials Science · Physics 2017-04-13 Y. Xu , M. Deb , G. Malinowski , M. Hehn , W. Zhao , S. Mangin

Ultrafast spintronics strongly relies on the generation, transport, manipulation and detection of terahertz spin currents (TSCs). In F|HM stacks consisting of a ferromagnetic layer F and a heavy-metal layer HM, ultrafast spin currents are…

The direction of ferroelectric polarization is prescribed by the symmetry of the crystal structure. Therefore, rotation of the polarization direction is largely limited, despite the opportunity it offers in understanding important…