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We use density-functional theory with the local-density approximation to study the structural and ferroelectric properties of SrTiO$_3$ under misfit strains. Both the antiferrodistortive (AFD) and ferroelectric (FE) instabilities are…

Materials Science · Physics 2009-11-11 Chien-Hung Lin , Chih-Meng Huang , G. Y. Guo

Intertwined ionic conduction and ferroelectric (FE) switching in HfO2 lead to extensive focuses. To describe its fundamental phenomena, we present a free-energy model describing the potential of ferroelectrics with successive FE switching…

Materials Science · Physics 2023-11-06 Guo-Dong Zhao , Xingen Liu , Zhongshan Xu , Wei Ren , Xiaona Zhu , David Wei Zhang , Shaofeng Yu

In contrast to hafnia (HfO2) thin films, where the appearance of switchable ferroelectric polarization can be induced by strain or defect engineering, reliable methods for controlling ferroelectricity are absent in HfO2 nanoparticles.…

Materials Science · Physics 2026-02-27 Anna N. Morozovska , Eugene A. Eliseev , Richard , Liu , Sergei V. Kalinin , Dean R. Evans

We performed first principles calculations for epitaxially strained orthorhombic CaTiO$_3$. The computational results reveal the existence of a metastable ferroelectric phase at compressive strain with unexpected in-plane polarization.…

Materials Science · Physics 2013-08-27 Qibin Zhou , Karin M. Rabe

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

Ferroelectricity, especially in hafnia-based thin films at nanosizes, has been rejuvenated in the fields of low-power, nonvolatile and Si-compatible modern memory and logic applications. Despite tremendous efforts to explore the formation…

Thin films of HfO2 doped with 4% La were fabricated on LSMO/STO (100) substrates using pulsed laser deposition. The stability of the ferroelectric orthorhombic phase in the hafnia films was investigated with respect to varying oxygen…

Materials Science · Physics 2023-08-16 Badari Narayana Rao , Shintaro Yasui , Hiroko Yokota

Flexible ferroelectrics possess significant potential for wearable electronics and bio-inspired devices, yet their electromechanical coupling mechanisms under dynamic bending remain elusive. This study employs phase-field simulations to…

Materials Science · Physics 2025-12-16 Changqing Guo , Letao Yang , Jing Wang , Houbing Huang

An analytical theory is developed for predicting the nonlinear susceptibility of ionic polarization to continuous electromagnetic waves in both bulk and strained thin film ferroelectrics. Using a perturbation method for solving the…

Materials Science · Physics 2025-11-04 Yujie Zhu , Taorui Chen , Aiden Ross , Bo Wang , Xiangwei Guo , Venkatraman Gopalan , Long-Qing Chen , Jia-Mian Hu

While ferroelectric hafnia ($\mathrm{HfO_2}$) has become a technically important material for microelectronics, the physical origin of its ferroelectricity remains poorly understood. The tetragonal $P4_2/nmc$ phase is commonly assigned as…

Materials Science · Physics 2024-09-17 Heng Yu , Kan-Hao Xue , Nan Feng , Yunzhe Zheng , Yan Cheng , Ben Xu , Xiangshui Miao

Defects such as oxygen vacancy are widely considered to be critical for the performance of HfO2-based devices, and yet atomistic mechanisms underlying various exotic effects such as wake-up and fluid imprint remain elusive. Here, guided by…

Materials Science · Physics 2023-03-03 Liyang Ma , Shi Liu

We perform a symmetry analysis of the zero-temperature instabilities of the tetragonal phase of Ca3Mn2O7 and Ca3Ti2O7 which is stable at high temperature. We introduce order parameters to characterize each of the possible lattice…

Materials Science · Physics 2015-03-17 A. B. Harris

Ferroelectricity in the complementary metal-oxide semiconductor (CMOS)-compatible hafnia (HfO$_2$) is crucial for the fabrication of high-integration nonvolatile memory devices. However, the capture of ferroelectricity in HfO$_2$ requires…

Materials Science · Physics 2024-07-02 Hong Jian Zhao , Yuhao Fu , Longju Yu , Yanchao Wang , Yurong Yang , Laurent Bellaiche , Yanming Ma

Ferroelectrics and ionic conductors are important functional materials, each supporting a plethora of applications in information and energy technology. The underlying physics governing their functional properties is ionic motion, and yet…

Materials Science · Physics 2023-12-22 Liyang Ma , Jing Wu , Tianyuan Zhu , Yiwei Huang , Qiyang Lu , Shi Liu

We report a giant linear magnetoelectric coupling in strained BiMnO3 thin films in which the disorder associated with an islanded morphology gives rise to extrinsic relaxor ferroelectricity that is not present in bulk centrosymmetric…

Materials Science · Physics 2016-04-13 Patrick R. Mickel , Hyoungjeen Jeen , Pradeep Kumar , Amlan Biswas , Arthur F. Hebard

The Landau theory of phase transitions has been re-examined under the framework of a modified mean field theory in ferroelectrics. By doing so, one can see that there are two atomic movements involved in the ferroelectric phase transition;…

Statistical Mechanics · Physics 2017-03-29 John Y. Fu

Symmetry analysis provides crucial insights into the magnetoelectric coupling effect in type-II multiferroics. In this Letter, we comprehensively investigate couplings between electric polarization and inhomogeneous magnetization across all…

Materials Science · Physics 2026-01-30 Xinhai Tu , Di Wang , Hanjing Zhou , Songsong Yan , Huimei Liu , Hongjun Xiang , Xiangang Wan

In hybrid improper ferroelectric systems, polarization arises from the onset of successive nonpolar lattice modes. In this work, measurements and modeling were performed to determine the spatial symmetries of the phases involved in the…

Materials Science · Physics 2019-07-03 S. Liu , H. Zhang , S. Ghose , M. Balasubramanian , Zhenxian Liu , S. G. Wang , Y-S. Chen , B. Gao , J. Kim , S. -W. Cheong , T. A. Tyson

Films of all-important compound hafnia (HfO2) can be prepared in an orthorhombic ferroelectric (FE) state that is ideal for applications, e.g. in memories or negative-capacitance field-effect transistors. The origin of this FE state remains…

Materials Science · Physics 2020-07-15 Sangita Dutta , Hugo Aramberri , Tony Schenk , Jorge Íñiguez

We demonstrate that small but finite ferroelectric polarization ($\sim$0.01 $\mu$C/cm$^2$) emerges in orthorhombic LuFeO$_3$ ($Pnma$) at $T_N$ ($\sim$600 K) because of commensurate (k = 0) and collinear magnetic structure. The synchrotron…