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The central goal of crystal engineering is to develop precise control over material function \emph{via} rational design of structure. A particularly successful realisation of this paradigm is the example of hybrid improper ferroelectricity…

Materials Science · Physics 2017-12-06 Hanna L B Boström , Mark S Senn , Andrew L Goodwin

Hybrid improper ferroelectrics (HIFs) have been intensely studied over the last few years to gain understanding of their temperature induced phase transitions and ferroelectric switching pathways. Here we report a switching from first- to…

Integration of ferroelectric materials into novel technological applications requires low coercive field materials, and consequently, design strategies to reduce the ferroelectric switching barriers. In this first principles study, we show…

Materials Science · Physics 2021-08-23 Shutong Li , Turan Birol

First-principles calculations are presented for the layered perovskite Ca$_3$Mn$_2$O$_7$. The results reveal a rich set of coupled structural, magnetic and polar domains in which oxygen octahedron rotations induce ferroelectricity,…

Materials Science · Physics 2010-12-21 Nicole A. Benedek , Craig J. Fennie

The switching of electric polarization induced by electric fields -a fundamental functionality of ferroelectrics- is closely associated with the motions of the domain walls that separate regions with distinct polarization directions.…

Materials Science · Physics 2014-01-10 F. Kagawa , S. Horiuchi , N. Minami , S. Ishibashi , K. Kobayashi , R. Kumai , Y. Murakami , Y. Tokura

Interfacial ferroelectricity offers a promising platform for ultrafast, low-power memory devices. While previous studies have demonstrated the importance of domain wall in polarization switching, the coexistence of various domain wall types…

Materials Science · Physics 2025-12-24 Hao-Wen Xu , Wen-Cheng Fan , Jun-Ding Zheng , Cheng-Shi Yao , Ni Zhong , Wen-Yi Tong , Chun-Gang Duan

In this paper, we re-explore a simple textbook Landau model describing improper ferroelectricity and show that in the limit where both proper and improper instabilities exist and compete, improper ferroelectrics can display switching…

Materials Science · Physics 2025-10-06 Cameron A. M Scott , Finlay D. Morrison , Nicholas. C. Bristowe

BiFeO3 is a model multiferroic in which the ferroelectric polarization is coupled to ferroelastic lattice distortions, yet deterministic control of its domain structure remains limited by high switching fields and competing polarization…

In conventional ferroelectric materials, polarization is an intrinsic property limited by bulk crystallographic structure and symmetry. Recently, it has been demonstrated that polar order can also be accessed using inherently non-polar van…

It is of great interest to design and make materials in which ferroelectric polarisation is coupled to other order parameters such as lattice, magnetic and electronic instabilities. Such materials will be invaluable in next-generation data…

Strongly Correlated Electrons · Physics 2018-05-09 Wei-Tin Chen , Chin-Wei Wang , Hung-Cheng Wu , Fang-Cheng Chou , Hung-Duen Yang , Arkadiy Simonov , Mark S. Senn

Tunnel devices based on ferroelectric Hf0.5Zr0.5O2 (HZO) barriers hold great promises for emerging data storage and computing technologies. The resistance state of the device can be changed by a suitable writing voltage. However, the…

We propose a novel ferroelectric switchable altermagnetism effect, the reversal of ferroelectric polarization is coupled to the switching of altermagnetic spin splitting. We demonstrate the design principles for the ferroelectric…

Two-dimensional (2D) ferroelectricity has attracted extensive attention since its discovery in the monolayers of van der Waals materials. Here we show that 2D ferroelectricity induced by octahedral rotation distortion is widely present in…

Materials Science · Physics 2022-02-11 Ying Zhou , Shuai Dong , Changxun Shan , Ke Ji , Junting Zhang

Ferroic transition metal oxides, which exhibit spontaneous elastic, electrical, magnetic or toroidal order, exhibit functional properties that find use in ultrastable solid-state memories to sensors and medical imaging technologies. To…

Materials Science · Physics 2015-03-20 Andrew T. Mulder , Nicole A. Benedek , James M. Rondinelli , Craig J. Fennie

Increasing demands for electric field-tunable electric, magnetic, and orbital (EMO) materials has renewed interests in ferroelectricity and its coupling to EMO properties in complex perovskite oxides. The historic design strategy to achieve…

Materials Science · Physics 2012-04-12 James M. Rondinelli , Craig J. Fennie

Ferroelectric HfO$_2$ has emerged as a highly promising material for high-density nonvolatile memory and nanoscale transistor applications. However, the uncertain origin of polarization in HfO$_2$ limits our ability to fully understand and…

Materials Science · Physics 2026-03-11 Seongjoo Jung , Turan Birol

With the recent experimental verification that ferroelectric lattice distortions survive in the metallic phase of some materials, there is a desire to create devices that are both switchable and take advantage of the novel functionalities…

Mesoscale and Nanoscale Physics · Physics 2022-02-10 Kelsey S. Chapman , W. A. Atkinson

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

The control of spin-dependent properties by voltage, not involving magnetization switching, has significant advantages for low-power spintronics. Here, we predict that the interfacial crystal Hall effect (ICHE) can serve for this purpose.…

Materials Science · Physics 2021-03-01 Ding-Fu Shao , Jun Ding , Gautam Gurung , Shu-Hui Zhang , Evgeny Y. Tsymbal

In this work, we carry out first-principles calculations and lattice mode analysis to investigate the polarization switching mechanism in HfO$_2$. Because the stability of the polar orthorhombic $Pca2_1$ phase of HfO$_2$ arises from a…

Materials Science · Physics 2021-08-31 Yubo Qi , Sobhit Singh , Karin M. Rabe
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