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We use molecular dynamics simulations with machine-learned atomistic force fields to simulate photoexcitation of BaTiO3 by a femtosecond laser pulse whose photon energy exceeds the optical gap. We demonstrate selective displacive excitation…

Materials Science · Physics 2024-07-30 Fangyuan Gu , Paul Tangney

The ability to manipulate ferroelectrics at ultrafast speeds has long been an elusive target for materials research. Coherently exciting the ferroelectric mode with ultrashort optical pulses holds the promise to switch the ferroelectric…

Materials Science · Physics 2017-05-17 Roman Mankowsky , Alexander von Hoegen , Michael Först , Andrea Cavalleri

The challenge of achieving ultrafast switching of electric polarization in ferroelectric materials remains unsolved, as there is no experimental evidence of such switching to date. In this study, we have developed an enhanced model that…

Materials Science · Physics 2024-05-03 Petr Zhilyaev , Kirill Brekhov , Elena Mishina , Christian Tantardini

To enhance the efficiency of next-generation ferroelectric (FE) electronic devices, new techniques for controlling ferroelectric polarization switching are required. While most prior studies have attempted to induce polarization switching…

Materials Science · Physics 2019-06-11 Chao Lian , Zulfikhar A. Ali , Hyuna Kwon , Bryan M. Wong

Optimizing ferroelectrics for contemporary high-frequency applications asks for the fundamental understanding of ferroelectric switching and domain wall (DW) motion in ultrafast field pulses while the microscopic understanding of the latter…

Materials Science · Physics 2022-04-21 Ruben Khachaturyan , Aris Dimou , Anna Grünebohm

We use molecular dynamics simulations to understand the mechanisms of polarization switching in ferroelectric BaTiO$_3$ achieved with external electric field. For tetragonal and orthorhombic ferroelectric phases, we determine the switching…

Materials Science · Physics 2009-11-13 Jaita Paul , Takeshi Nishimatsu , Yoshiyuki Kawazoe , Umesh V. Waghmare

Modeling ferroelectric materials from first principles is one of the successes of density-functional theory, and the driver of much development effort, requiring an accurate description of the electronic processes and the thermodynamic…

Materials Science · Physics 2022-10-26 Lorenzo Gigli , Max Veit , Michele Kotiuga , Giovanni Pizzi , Nicola Marzari , Michele Ceriotti

Intense, few-cycle pulses in the terahertz frequency range have strong potential for schemes of control over vibrational modes in solid-state materials in the electronic ground-state. Here we report an experiment using single cycle…

"Hidden phases" are metastable collective states of matter that are typically not accessible on equilibrium phase diagrams. These phases can host exotic properties in otherwise conventional materials and hence may enable novel functionality…

Materials Science · Physics 2019-06-17 Xian Li , Tian Qiu , Jiahao Zhang , Edoardo Baldini , Jian Lu , Andrew M. Rappe , Keith A. Nelson

A fundamental understanding of the interplay between lattice structure, polarization and electrons is pivotal to the optical control of ferroelectrics. The interaction between light and matter enables the remote and wireless control of the…

Ferroelectricity is characterized by the presence of spontaneous and switchable macroscopic polarization. Scaling limits of ferroelectricity have been of both fundamental and technological importance, but the probes of ferroelectricity have…

We investigate the role of polarization-photon coupling (specifically, polarization-oscillation-induced radiation electric field) in the excitation of ferroelectric thin films by an ultrafast terahertz (THz) electric-field pulse. Analytical…

Applied Physics · Physics 2022-07-21 Shihao Zhuang , Jia-Mian Hu

Interface effects on the ferroelectric behavior of PbTiO$_3$ ultrathin films deposited on SrTiO$_3$ substrate are investigated using an interatomic potential approach with parameters fitted to first-principles calculations. We find that the…

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

We find that in BaTiO$_3$ the phonon angular momentum is dominantly pointing in directions perpendicular to the electrical polarization. Therefore, external electric field in ferroelectric BaTiO$_3$ does not control only the direction of…

Materials Science · Physics 2022-10-26 Kevin Moseni , Richard B Wilson , Sinisa Coh

Ultrafast switching of ferroic phases is an important research frontier, with significant technological potential. Yet, current efforts are meeting some key challenges, ranging from limited speeds in ferromagnets to intrinsic volatility of…

Materials Science · Physics 2025-06-13 Z. Zeng , M. Först , M. Fechner , D. Prabhakaran , P. G. Radaelli , A. Cavalleri

The instability of ferroelectric ordering in ultra-thin films is one of the most important fundamental issues pertaining realization of a number of electronic devices with enhanced functionality, such as ferroelectric and multiferroic…

A method of ultrafast switching of ferroelectric polarization is suggested. The method is based on the interaction of a ferroelectric sample with the feedback field of a resonator in which the sample is inserted. The polarization reversal…

Other Condensed Matter · Physics 2020-03-20 V. I. Yukalov , E. P. Yukalova

We present molecular dynamics simulations of a realistic model of an ultrathin film of BaTiO$_3$ sandwiched between short-circuited electrodes to determine and understand effects of film thickness, epitaxial strain and the nature of…

Materials Science · Physics 2009-11-13 Jaita Paul , Takeshi Nishimatsu , Y. Kawazoe , Umesh V. Waghmare

Short mid-infrared laser pulses efficiently facilitate ultrafast manipulation of ferroic order parameters, including full reversal of magnetization or ferroelectric polarization, with the invoked mechanisms relating to the properties of…

Materials Science · Physics 2026-03-30 Maarten Kwaaitaal , Daniel Lourens , Carl S. Davies , Andrei Kirilyuk

Perovskite ferroelectric oxides are usually considered to be brittle materials, however, recent work [Dong et al., Science 366, 475 (2019)] demonstrated the super-elasticity in the freestanding BaTiO3 thin films. This property may originate…

Materials Science · Physics 2020-04-15 Changqing Guo , Guohua Dong , Ziyao Zhou , Ming Liu , Houbing Huang , Jiawang Hong , Xueyun Wang
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