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1. Reversal of the magnetoelectric effect at a ferromagnetic metal/ferroelectric interface induced by metal oxidation

   https://doi.org/10.1038/s41524-021-00679-2  

   Chen, Zhaojin ; Yang, Qiong ; Tao, Lingling ; Tsymbal, Evgeny Y. ( December 2021 , npj Computational Materials)

   Multiferroic materials composed of ferromagnetic and ferroelectric components are interesting for technological applications due to sizable magnetoelectric coupling allowing the control of magnetic properties by electric fields. Due to being compatible with the silicon-based technology, HfO₂-based ferroelectrics could serve as a promising component in the composite multiferroics. Recently, a strong charge-mediated magnetoelectric coupling has been predicted for a Ni/HfO₂multiferroic heterostructure. Here, using density functional theory calculations, we systematically study the effects of the interfacial oxygen stoichiometry relevant to experiments on the magnetoelectric effect at the Ni/HfO₂interface. We demonstrate that the magnetoelectric effect is very sensitive to the interface stoichiometry and is reversed if an oxidized Ni monolayer is formed at the interface. The reversal of the magnetoelectric effect is driven by a strong Ni−O bonding producing exchange-split polarization-sensitive antibonding states at the Fermi energy. We argue that the predicted reversal of the magnetoelectric effect is typical for other 3dferromagnetic metals, such as Co and Fe, where the metal-oxide antibonding states have an opposite spin polarization compared to that in the pristine ferromagnetic metals. Our results provide an important insight into the mechanism of the interfacial magnetoelectric coupling, which is essential for the physics and application of multiferroic heterostructures.
2. Strain-induced resonances in the dynamical quadratic magnetoelectric response of multiferroics

   https://doi.org/10.1038/s41524-020-0311-z  

   Sayedaghaee, S. Omid ; Paillard, Charles ; Prosandeev, Sergey ; Xu, Bin ; Bellaiche, Laurent ( May 2020 , npj Computational Materials)

   For the last few years, the research interest in magnetoelectric (ME) effect, which is the cross-coupling between ferroelectric and magnetic ordering in multiferroic materials, has experienced a significant revival. The extensive recent studies are not only conducted towards the design of sensors, actuators, transducers, and memory devices by taking advantage of the cross-control of polarization (or magnetization) by magnetic (or electric) fields, but also aim to create a clearer picture in understanding the sources of ME responses and the novel effects associated with them. Here we derive analytical models allowing to understand the striking and novel dynamics of ME effects in multiferroics and further confirm it with atomistic simulations. Specifically, the role of strain is revealed to lead to the existence of electroacoustic magnons, a new quasiparticle that mixes acoustic and optical phonons with magnons, which results in resonances and thus a dramatic enhancement of magnetoelectric responses. Moreover, a unique aspect of the dynamical quadratic ME response under a magnetic field with varying frequencies, which is the second harmonic generation (SHG), has not been discussed prior to the present work. These SHGs put emphasis on the fact that nonlinearities should be considered while dealing with such systems.
3. In situ determination of the interplay of the structure and domain under a subcoercive field in BiScO ₃ –PbTiO ₃

   https://doi.org/10.1039/d1qi00670c  

   Fan, Longlong ; Zhang, Linxing ; Liu, Hui ; Chen, Yu-sheng ; Ren, Yang ; Xing, Xianran ; Chen, Jun ( September 2021 , Inorganic Chemistry Frontiers)

   The extraordinary performances of phase-coexisting ferroelectrics are significantly affected by not only the phase constitution but also the motion of domain walls. The study on the role of phase coexistence in the formation of ferroelectric and ferroelastic domain microstructures is of great importance to explain the enhanced piezoelectric properties. In situ high-energy diffraction and the Rayleigh law are utilized to reveal the interplay of phase constitution and domain configuration to the macroscopic electromechanical coupling effect in the morphotropic phase boundary composition of 0.365BiScO 3 –0.635PbTiO 3 during the application of a weak electrical loading in the present study. It was found that anisotropic phase transition and domain switching occur in polycrystalline ferroelectric ceramics and a phase transition occurs dramatically beyond the coercive field. Taking into account the important role of coupled ferroelectric and ferroelastic domain microstructures, we conceived a configuration of monoclinic domains coexisting with and bridging the tetragonal domains. The existence of bridging domains would provide an insight into the interplay of the phase and domain and explains the piezoelectric performance in the vicinity of morphotropic phase boundaries.
4. Sliding ferroelectricity in 2D van der Waals materials: Related physics and future opportunities

   https://doi.org/10.1073/pnas.2115703118  

   Wu, Menghao ; Li, Ju ( December 2021 , Proceedings of the National Academy of Sciences)

   Near the 100th anniversary of the discovery of ferroelectricity, so-called sliding ferroelectricity has been proposed and confirmed recently in a series of experiments that have stimulated remarkable interest. Such ferroelectricity exists widely and exists only in two-dimensional (2D) van der Waals stacked layers, where the vertical electric polarization is switched by in-plane interlayer sliding. Reciprocally, interlayer sliding and the “ripplocation” domain wall can be driven by an external vertical electric field. The unique combination of intralayer stiffness and interlayer slipperiness of 2D van der Waals layers greatly facilitates such switching while still maintaining environmental and mechanical robustness at ambient conditions. In this perspective, we discuss the progress and future opportunities in this behavior. The origin of such ferroelectricity as well as a general rule for judging its existence are summarized, where the vertical stacking sequence is crucial for its formation. This discovery broadens 2D ferroelectrics from very few material candidates to most of the known 2D materials. Their low switching barriers enable high-speed data writing with low energy cost. Related physics like Moiré ferroelectricity, the ferroelectric nonlinear anomalous Hall effect, and multiferroic coupling are discussed. For 2D valleytronics, nontrivial band topology and superconductivity, their possible couplings with sliding ferroelectricity viamore »certain stacking or Moiré ferroelectricity also deserve interest. We provide critical reviews on the current challenges in this emerging area.« less
5. Domain wall enabled steep slope switching in MoS2 transistors towards hysteresis-free operation

   https://doi.org/10.1038/s41699-022-00353-1  

   Song, Jingfeng ; Qi, Yubo ; Xiao, Zhiyong ; Wang, Kun ; Li, Dawei ; Kim, Seung-Hyun ; Kingon, Angus I. ; Rappe, Andrew M. ; Hong, Xia ( November 2022 , npj 2D Materials and Applications)

   The device concept of ferroelectric-based negative capacitance (NC) transistors offers a promising route for achieving energy-efficient logic applications that can outperform the conventional semiconductor technology, while viable operation mechanisms remain a central topic of debate. In this work, we report steep slope switching in MoS₂transistors back-gated by single-layer polycrystalline PbZr_0.35Ti_0.65O₃. The devices exhibit current switching ratios up to 8 × 10⁶within an ultra-low gate voltage window of$$V_{{{\mathrm{g}}}} = \pm \! 0.5$$$V_g=\pm 0.5$V and subthreshold swing (SS) as low as 9.7 mV decade⁻¹at room temperature, transcending the 60 mV decade⁻¹Boltzmann limit without involving additional dielectric layers. Theoretical modeling reveals the dominant role of the metastable polar states within domain walls in enabling the NC mode, which is corroborated by the relation between SS and domain wall density. Our findings shed light on a hysteresis-free mechanism for NC operation, providing a simple yet effective material strategy for developing low-power 2D nanoelectronics.