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Ultra-dense domain walls are increasingly important for many devices but their microscopic properties are so far not fully understood. Here we use molecular dynamic simulations to study the domain wall stability in the prototypical…

Materials Science · Physics 2025-10-06 Arne J. Klomp , Ruben Khachaturyan , Theophilus Wallis , Anna Grünebohm , Karsten Albe

Flat elastic sheets tend to display wrinkles and folds. From pieces of clothing down to two-dimensional crystals, these corrugations appear in response to strain generated by sheet compression or stretching, thermal or mechanical mismatch…

In this study, we explore the ferroelectric domain structure and mechanical properties of PbTiO$_3$-based membranes, which develops a well-ordered and crystallographic-oriented ripple pattern upon release from their growth substrate. The…

We present a spatial and wave-vector resolved study of the electronic structure of micron sized ferroelectric domains at the surface of a BaTiO3(001) single crystal. The n-type doping of the BaTiO3 is controlled by in-situ vacuum and oxygen…

Materials Science · Physics 2018-06-12 J. E. Rault , J. Dionot , C. Mathieu , V. Feyer , C. M. Schneider , G. Geneste , N. Barrett

Domain boundaries in ferroelectric materials exhibit rich and diverse physical properties distinct from their parent materials and have been proposed for novel applications in nanoelectronics and quantum information technology. Due to their…

Mesoscale and Nanoscale Physics · Physics 2021-09-14 Fan Zhang , Zhe Wang , Lixuan Liu , Anmin Nie , Yongji Gong , Wenguang Zhu , Chenggang Tao

Extraordinary physical properties arise at polar interfaces in oxide materials, including the emergence of two-dimensional electron gases, sheet-superconductivity, and multiferroicity. A special type of polar interface are ferroelectric…

Previous experiments with BaTiO$_3$ single crystals have shown that application of the electric field in the vicinity of the ferroelectric phase transition can be used to introduce peculiar persisting ferroelectric domain walls, accompanied…

Materials Science · Physics 2024-10-31 P. S. Bednyakov , J. Hlinka

It has been recently demonstrated that the magnetic state of FeRh can be controlled by electric fields in FeRh/BaTiO$_{\text{3}}$ heterostructures [R.O. Cherifi et al. Nature Mater. 13, 345 (2014)]. Voltage-controlled changes in the…

Using a combination of computational simulations, atomic-scale resolution imaging and phenomenological modelling, we examine the underlying mechanism for nanodomain restructuring in lead zirconate titanate (PZT) nanodisks driven by electron…

Complex oxides offer a wide range of functional properties, and recent advances in fabrication of freestanding membranes of these oxides are adding new mechanical degrees of freedom to this already rich functional ecosystem. Here, we…

First-principles calculations for pristine neutral ferroelectric domain walls in BiFeO$_3$ reveal that excess electrons are selectively trapped by the domain walls, while holes are only weakly attracted. Such trapped excess electrons may be…

Materials Science · Physics 2018-10-03 Sabine Körbel , Jirka Hlinka , Stefano Sanvito

Ferroelectric domains in PbTiO$_3$/SrTiO$_3$ superlattices were studied using synchrotron X-ray diffraction. Macroscopic measurements revealed a change in the domain wall orientation from $\left\lbrace 100 \right\rbrace $ to $\left\lbrace…

Mesoscale and Nanoscale Physics · Physics 2018-02-13 Marios Hadjimichael , Edoardo Zatterin , Stéphanie Fernandez-Peña , Steven J. Leake , Pavlo Zubko

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

We report two series of structures representing two types of $180^\circ$ ferroelectric domain walls in $\mathrm{HfO_2}$ and $\mathrm{ZrO_2}$. We model the domain structures with different width by density functional theory calculations. The…

Materials Science · Physics 2022-02-22 Hongchu Du

The newly-discovered ferroelectric nematic liquid crystal exhibits a variety of unique defect phenomena. The depolarization field in the material favors spontaneous spatial variations in polarization, manifesting in diverse forms such as…

Soft Condensed Matter · Physics 2025-07-17 Maxim O. Lavrentovich , Priyanka Kumari , Oleg D. Lavrentovich

Ferroelectric nanostructures can be formed by local switching of domains using techniques such as piezo-force microscopy (PFM). Understanding lateral size effects is important to determine the minimum feature size for writing ferroelectric…

Materials Science · Physics 2013-10-31 Nathaniel Ng , Rajeev Ahluwalia , Haibin Su , Freddy Boey

Ferroelectric random access memory cells (FeRAMs) have reached 450 x 400 nm production (0.18 micron^2) at Samsung with lead zirconate-titanate (PZT), 0.13 micron^2 at Matsushita with strontium bismuth tantalate (SBT), and comparable sizes…

Materials Science · Physics 2007-05-23 G. Catalan , J. F. Scott , A. Schilling , J. M. Gregg

The electrical generation and detection of elastic waves are the foundation for acousto-electronic and acousto-optic systems. For surface-acoustic-wave devices, micro-/nano-electromechanical systems, and phononic crystals, tailoring the…

Mesoscale and Nanoscale Physics · Physics 2018-05-14 Lu Zheng , Hui Dong , Xiaoyu Wu , Yen-Lin Huang , Wenbo Wang , Weida Wu , Zheng Wang , Keji Lai

Domain walls in ferroelectrics exhibit a plethora of phases and functionalities not found in the bulk. The interplay of electrostatic, chemical, topological, and distortive inhomogeneities at the walls can be so complex, however, that this…

Mesoscale and Nanoscale Physics · Physics 2017-02-23 Gabriele De Luca , Marta D. Rossell , Jakob Schaab , Nathalie Viart , Manfred Fiebig , Morgan Trassin

A first-principles-derived method is used to study the morphology and electric-field-induced evolution of stripe nanodomains in (001) BaTiO3 (BTO) ultrathin films, and to compare them with those in (001) Pb(Zr,Ti)O3 (PZT) ultrathin films.…

Materials Science · Physics 2015-06-25 Bo-Kuai Lai , Inna Ponomareva , Igor A. Kornev , L. Bellaiche , G. J. Salamo