Scale-free switching of polarization in the layered ferroelectric material CuInP 2 S 6
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36 MATERIALS SCIENCE↗
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Tensile-stress effect on ferroelectric Barkhausen noise
Here, this study examines the effect of tensile stress on the ferroelectric properties of Pb(Zr 0.4 Ti 0.6 )O 3 thin film, with a focus on Barkhausen noise, observed for the first time under such conditions. Tensile stress significantly alters domain wall motions, affecting Barkhausen noise more than average polarization. Frequency analysis identifies grain boundaries as primary pinning sites, consistent across stress levels. A nonlinear relationship between stress, domain wall mobility, and polarization is found, where increased stress initially enhances pinning and polarization changes, but this effect diminishes at higher stress levels, indicating a shift in behavior.
36 MATERIALS SCIENCE↗
Temperature-Assisted Piezoresponse Force Microscopy: Probing Local Temperature-Induced Phase Transitions in Ferroics
The combination of local heating and biasing at the tip-surface junction in temperature-assisted piezoresponse force microscopy (TPFM) opens a pathway for probing local temperature-induced phase transitions in ferroics, exploring the temperature dependence of polarization dynamics in ferroelectrics and potentially discovering coupled phenomena driven by strong temperature and electric field gradients. In this study we analyze the signal-formation mechanism in TPFM and explore the interplay between thermal- and bias-induced switching in model ferroelectric materials. Furthermore, we explore the contributions of the flexoelectric and thermopolarization effects to the local electromechanical response and demonstrate that the latter can be significant for “soft” ferroelectrics. These results establish a framework for the quantitative interpretation of TPFM observations, predict the emergence of nontrivial switching and relaxation phenomena driven by nonlocal thermal-gradient-induced polarization switching, and open a pathway for exploring the physics of thermopolarization effects in various noncentrosymmetric and centrosymmetric materials.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
High Velocity, Low‐Voltage Collective In‐Plane Switching in (100) BaTiO 3 Thin Films
Abstract Ferroelectrics are being increasingly called upon for electronic devices in extreme environments. Device performance and energy efficiency is highly correlated to clock frequency, operational voltage, and resistive loss. To increase performance it is common to engineer ferroelectric domain structure with highly‐correlated electrical and elastic coupling that elicit fast and efficient collective switching. Designing domain structures with advantageous properties is difficult because the mechanisms involved in collective switching are poorly understood and difficult to investigate. Collective switching is a hierarchical process where the nano‐ and mesoscale responses control the macroscopic properties. Using chemical solution synthesis, epitaxially nearly‐relaxed (100) BaTiO 3 films are synthesized. Thermal strain induces a strongly‐correlated domain structure with alternating domains of polarization along the [010] and [001] in‐plane axes and 90° domain walls along the [011] or [01] directions. Simultaneous capacitance–voltage measurements and band‐excitation piezoresponse force microscopy revealed strong collective switching behavior. Using a deep convolutional autoencoder, hierarchical switching is automatically tracked and the switching pathway is identified. The collective switching velocities are calculated to be ≈500 cm s −1 at 5 V (7 kV cm −1 ), orders‐of‐magnitude faster than expected. These combinations of properties are promising for high‐speed tunable dielectrics and low‐voltage ferroelectric memories and logic.
36 MATERIALS SCIENCE↗
Intrinsic synaptic plasticity of ferroelectric field effect transistors for online learning
Nanoelectronic devices emulating neuro-synaptic functionalities through their intrinsic physics at low operating energies is imperative toward the realization of brain-like neuromorphic computers. In this work, we leverage the non-linear voltage dependent partial polarization switching of a ferroelectric field effect transistor to mimic plasticity characteristics of biological synapses. Here, we provide experimental measurements of the synaptic characteristics for a 28nm high-k metal gate technology based device and develop an experimentally calibrated device model for large-scale system performance prediction. Decoupled read-write paths, ultra-low programming energies and the possibility of arranging such devices in a cross-point architecture demonstrate the synaptic efficacy of the device. Our hardware-algorithm co-design analysis reveals that the intrinsic plasticity of the ferroelectric devices has potential to enable unsupervised local learning in edge devices with limited training data
42 ENGINEERING↗
A molecular dynamics study of domain switching in BiFeO 3 nanofilm under DC electric field
The performance of ferroelectric materials is deeply rooted in the domain switching process triggered by an applied electric field. To understand the effect of controlling factors on the domain switching characteristics, nanoscale studies are essential. In this work, an atomistic-scale computational framework is developed to study the domain switching process of bismuth ferrite (BiFeO 3 ) nanofilms. Through a series of molecular dynamics simulations, the effects of duration and magnitude of an electric field, domain size and nanofilm thickness on the domain switching behavior are investigated. The evolution of domains under different magnitudes and durations of the applied electric field is studied, and the results of unswitched and switched cases are summarized in a switching map. Analysis of various nanofilms reveals that by increasing the film thickness, the switching time is increased. Additionally, the nanofilms with different domain sizes and configurations are examined, and the minimum domain size for complete reversal switching is obtained. Our results are helpful to predict and tune the switching process in ferroelectric materials.
36 MATERIALS SCIENCE↗
Electric-field-induced crossover of polarization reversal mechanisms in Al 1–x Sc x N ferroelectrics
Scandium-doped aluminum nitride, Al 1–x Sc x N, represents a new class of displacive ferroelectric materials with high polarization and sharp hysteresis along with high-temperature resilience, facile synthesizability and compatibility with standard CMOS fabrication techniques. The fundamental physics behind the transformation of unswitchable piezoelectric AlN into switchable Al–Sc–N ferroelectrics depends upon important atomic properties such as local structure, dopant distributions and the presence of competing mechanism of polarization switching in the presence of an applied electric-field that have not been understood. We computationally synthesize Al 1–x Sc x N to quantify the inhomogeneity of Sc distribution and phase segregation, and characterize its crystal and electronic structure as a function of Sc-doping. Nudged elastic band calculations of the potential energy surface and quantum molecular dynamics simulations of direct electric-field-driven ferroelectric switching reveal a crossover between two polarization reversal mechanisms—inhomogeneous nucleation-and-growth mechanism originating near Sc-rich regions in the limit of low applied fields and nucleation-limited-switching in the high-field regime. Finally, understanding polarization reversal pathways for these two mechanisms as well as the role of local Sc concentration on activation barriers provides design rules to identify other combinations of dopant elements, such as Zr, Mg etc. to synthesize superior AlN-based ferroelectric materials.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
Experimental discovery of structure–property relationships in ferroelectric materials via active learning
Emergent functionalities of structural and topological defects in ferroelectric materials underpin an extremely broad spectrum of applications ranging from domain wall electronics to high dielectric and electromechanical responses. Many of these functionalities have been discovered and quantified via local scanning probe microscopy methods. However, the search has until now been based on either trial and error, or using auxiliary information such as the topography or domain wall structure to identify potential objects of interest on the basis of the intuition of operator or pre-existing hypotheses, with subsequent manual exploration. Here we report the development and implementation of a machine learning framework that actively discovers relationships between local domain structure and polarization-switching characteristics in ferroelectric materials encoded in the hysteresis loop. The hysteresis loops and their scalar descriptors such as nucleation bias, coercive bias and the hysteresis loop area (or more complex functionals of hysteresis loop shape) and corresponding uncertainties are used to guide the discovery of these relationships via automated piezoresponse force microscopy and spectroscopy experiments. As such, this approach combines the power of machine learning methods to learn the correlative relationships between high-dimensional data, as well as human-based physics insights encoded into the acquisition function. For ferroelectric materials, this automated workflow demonstrates that the discovery path and sampling points of on- and off-field hysteresis loops are largely different, indicating that on- and off-field hysteresis loops are dominated by different mechanisms. Here, the proposed approach is universal and can be applied to a broad range of modern imaging and spectroscopy methods ranging from other scanning probe microscopy modalities to electron microscopy and chemical imaging.
36 MATERIALS SCIENCE↗
Proximity Ferroelectricity in Compositionally Graded Structures
Proximity ferroelectricity is a novel paradigm for inducing ferroelectricity in a non-ferroelectric polar material, such as AlN or ZnO that are typically unswitchable with an external field below their dielectric breakdown field. When placed in direct contact with a thin switchable ferroelectric layer (such as Al 1-x Sc x N or Zn 1-x Mg x O), they become a practically switchable ferroelectric. Using the thermodynamic Landau-Ginzburg-Devonshire theory, in this work, we perform the finite element modeling of the polarization switching in the compositionally graded AlN-Al 1-x Sc x N, ZnO-Zn 1-x Mg x O, and MgO-Zn 1-x Mg x O structures sandwiched in both a parallel-plate capacitor geometry as well as in a sharp probe-planar electrode geometry. We reveal that the compositionally graded structure allows the simultaneous switching of spontaneous polarization in the whole system by a coercive field significantly lower than the electric breakdown field of unswitchable polar materials. The physical mechanism is the depolarization electric field determined by the gradient of chemical composition “x”. The field lowers the steepness of the switching barrier in the otherwise unswitchable parts of the compositionally graded AlN-Al 1-x Sc x N and ZnO-Zn 1-x Mg x O structures. In the MgO-like regions of the compositionally graded MgO-Zn 1-x Mg x O structure, a shallow double-well free energy potential emerges. Proximity ferroelectric switching of the compositionally graded structures placed in the probe-electrode geometry occurs due to nanodomain formation under the tip. We predict that a gradient of chemical composition “x” significantly lowers effective coercive fields of the compositionally graded AlN-Al 1-x Sc x N and ZnO-Zn 1-x Mg x O structures compared to the coercive fields of the corresponding multilayers with a uniform chemical composition in each layer. A tip-induced switching further lowers the coercive field, enabling control of ferroelectric domains in otherwise unswitchable compositionally graded structures, which can provide nanoscale domain control for memory, actuation, sensing, and optical applications.
36 MATERIALS SCIENCE↗
Alignment of Polarization against an Electric Field in van der Waals Ferroelectrics
Polarization in ferroelectrics can be switched in the direction of an applied electric field by dipole reorientation, enabling numerous applications and fundamental phenomena. In this study, we demonstrate that, in the van der Waals (vdW) layered ferrielectric Cu In P 2 S 6 , a unique mechanism exists where polarization aligns against the direction of the applied electric field, seemingly in violation of the fundamental properties of a dipolar solid. The mechanism is the result of the electric field driving the Cu atoms unidirectionally across the vdW gaps, which is distinctively different from dipole reorientation. The crossing of Cu atoms is the fundamental process of ionic conductivity, yet it is compatible with the existence of polarization. These phenomena are confirmed by nanoscale imaging and spectroscopy of ferroelectric capacitors, coupled with dynamic density-functional-theory simulations. The symbiotic relationship of ferroelectric and ionic phenomena enables alternative approaches to control polarization and necessitates a change in perspective on nucleation, domain-wall dynamics, and other ferroelectric and electromechanical characteristics in material systems where ionic and ferroelectric phenomena manifest.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Electrically tunable nonlinear light generation in plasmonic tunnel junctions
Active and efficient control of nonlinear optical processes is essential for integrated photonics, with applications in signal processing, ultrafast switching, and quantum light manipulation. While nanophotonic structures are powerful for enhancing nonlinearities, achieving wide-range electrical tunability has remained a challenge. Plasmonic tunnel junctions offer a unique path to bridge this gap because they combine extreme optical field confinement with direct electrical control in a single nanoscale device. Here, we report the first, to our knowledge, demonstration of electrically tunable second-harmonic generation (SHG) in plasmonic tunnel junctions. Using ultra-stable epitaxial heterostructures, we achieve reproducible modulation of SHG with depths up to ∼500% and magnitudes above 1.3V −1 . We identify two mechanisms, electric-field-induced SHG (EFISH) and ion migration, that can either compete or cooperate depending on junction thickness and bias, enabling both broad tunability and ferroelectric-like hysteretic switching. These findings establish plasmonic tunnel junctions as a platform for electrically controlled nonlinear optics, with potential for nanoscale light sources, reconfigurable modulators, and neuromorphic photonic devices..
42 ENGINEERING↗
On the Ordering Mechanism of Cu + in 2D van der Waals Multiferroic CuCrP 2 S 6
CuCrP 2 S 6 is a van der Waals multiferroic where the tunable Cu + sublattice underpins its exceptional ferroelectric and electronic switching properties. Yet, the microscopic mechanism governing Cu + ordering has remained elusive. Here, we combine single-crystal X-ray and neutron diffraction with pair distribution function analysis to uncover a temperature-driven evolution of Cu + ordering, giving rise to an incommensurate quasi-antipolar phase between the paraelectric and antiferroelectric states. The modulation originates from correlated Cu + occupancy redistribution coupled to breathing distortion of surrounding S 3 triangles, establishing a symmetry-adapted lattice distortion mode. Diffuse scattering persisting over 35 K above the transition confirms that the structural instability follows an order-disorder mechanism. The spontaneous off-centering of Cu + positions CuCrP 2 S 6 as a model platform for correlated order-disorder phenomena in 2D layered ferroics, and provides design principles for next-generation memory and logic devices.
ferroelectrics↗
Control of magnetic properties of MnBi 2 Te 4 using a van der Waals ferroelectric III 2 -VI 3 film and biaxial strain
Using the first-principles calculations, we systematically investigated magnetic properties of a MnBi 2 Te 4 (MBT) monolayer in contact with III 2 -VI 3 two-dimensional ferroelectric substrates. As the electric polarization in the ferroelectric films is switched, a semiconductor to half-metal transition occurs in MBT, and its magnetic easy axis in several cases reorients. As an example, the Curie temperature of MBT/In 2 Se 3 can be enhanced to 21.5 or 32 K under the influence of electric polarization and biaxial strain, much higher than that of the pristine MBT monolayer, which is 14.5 K in our calculations. Our results in this work suggest effective ways to tune magnetic properties of MBT and provide useful insights for the further development of these important van der Waals functional materials.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Self-biased magnetoelectric switching at room temperature in three-phase ferroelectric–antiferromagnetic–ferrimagnetic nanocomposites
Magnetoelectric systems could be used to develop magnetoelectric random access memory and microsensor devices. One promising system is the two-phase 3-1-type multiferroic nanocomposite in which a one-dimensional magnetic column is embedded in a three-dimensional ferroelectric matrix. However, it suffers from a number of limitations including unwanted leakage currents and the need for biasing with a magnetic field. Here we show that the addition of an antiferromagnet to a 3-1-type multiferroic nanocomposite can lead to a large, self-biased magnetoelectric effect at room temperature. Our three-phase system is composed of a ferroelectric Na 0.5 Bi 0.5 TiO 3 matrix in which ferrimagnetic NiFe 2 O 4 nanocolumns coated with antiferromagnetic p-type NiO are embedded. This system, which is self-assembled, exhibits a magnetoelectric coefficient of up to 1.38 × 10 –9 s m –1 , which is large enough to switch the magnetic anisotropy from the easy axis (K eff = 0.91 × 10 4 J m –3 ) to the easy plane (K eff = –1.65 × 10 4 J m –3 ).
42 ENGINEERING↗
Heteroepitaxial control of thickness, strain, and domain architecture in few-layer ferroelectric tin monochalcogenides
Thin-film epitaxy and epitaxial strain have been widely exploited to tune domain configurations, switching behavior, and ferroic properties in conventional three-dimensional ferroelectric thin films; however, its application to controlling the properties of two-dimensional (2D) ferroelectrics has remained largely unexplored. Here, using SnX (X = Se, S) as a model system, we demonstrate heteroepitaxial control of thickness, strain state, and domain architecture in few-layer ferroelectric SnX via growth on monolayer MoS2 van der Waals (vdW) templates. Compared with conventional growth, MoS2-templated heteroepitaxy promotes epitaxial alignment, yielding ultrathin SnSe films with improved crystalline quality, full areal coverage, and enlarged lateral dimensions. Strong interfacial epitaxial coupling induces pronounced in-plane strain and stabilizes a hierarchical ferroelastic domain architecture, in which long-range 90° stripe domains are further subdivided into nanoscale rotational variants, as revealed by scanning transmission electron microscopy and synchrotron X-ray microscopy. Piezoresponse force microscopy and second-harmonic polarimetry confirm robust in-plane polarization, while ferroelectricity in SnSe is established through polarization-electric field hysteresis and nonvolatile ferroelectric resistive switching with on/off ratios approaching 1000. A nonvolatile, switchable ferroelectric diode effect further evidences direct coupling between polarization and charge transport. Notably, ferroelectric switchability exhibits a strong thickness dependence and is preserved only below ∼10 layers. This vdW heteroepitaxial strategy is further extended to ferroelectric SnS. The seamless heteroepitaxial integration of 2D ferroelectrics with CMOS-compatible, wafer-scale MoS2 templates provides a general and scalable route for strain-enabled structural and ferroelectric engineering in emerging memory and low-power optoelectronic applications.
Wang, Yueyin↗
Switching it up: New mechanisms revealed in wurtzite-type ferroelectrics
Wurtzite-type ferroelectrics have drawn increasing attention due to the promise of better performance and integration than traditional oxide ferroelectrics with semiconductors such as Si, SiC, and III-V compounds. However, wurtzite-type ferroelectrics generally require enormous electric fields, approaching breakdown, to reverse their polarization. The underlying switching mechanism(s), especially for multinary compounds and alloys, remains elusive. Here, we examine the switching behaviors in Al 1-x Sc x N alloys and wurtzite-type multinary candidate compounds we recently computationally identified. We find that switching in these tetrahedrally coordinated materials proceeds via a variety of nonpolar intermediate structures and that switching barriers are dominated by the more-electronegative cations. For Al 1-x Sc x N alloys, we find that the switching pathway changes from a collective mechanism to a lower-barrier mechanism enabled by inversion of individual tetrahedra with increased Sc composition. Our findings provide insights for future engineering and realization of wurtzite-type materials and open a door to understanding domain motion.
36 MATERIALS SCIENCE↗
Ultrafast high-endurance memory based on sliding ferroelectrics
The persistence of voltage-switchable collective electronic phenomena down to the atomic scale has extensive implications for area- and energy-efficient electronics, especially in emerging nonvolatile memory technology. We investigate the performance of a ferroelectric field-effect transistor (FeFET) based on sliding ferroelectricity in bilayer boron nitride at room temperature. Sliding ferroelectricity represents a different form of atomically thin two-dimensional (2D) ferroelectrics, characterized by the switching of out-of-plane polarization through interlayer sliding motion. We examined the FeFET device employing monolayer graphene as the channel layer, which demonstrated ultrafast switching speeds on the nanosecond scale and high endurance exceeding 10 11 switching cycles, comparable to state-of-the-art FeFET devices. These characteristics highlight the potential of 2D sliding ferroelectrics for inspiring next-generation nonvolatile memory technology.
Science & Technology - Other Topics↗
Large electromechanical strain and unconventional domain switching near phase convergence in a Pb-free ferroelectric
In many ferroelectrics, large electromechanical strains are observed near regions of composition- or temperature- driven phase coexistence. Phenomenologically, this is attributed to easy re-orientation of the polarization vector and/or phase transition, although their effects are highly convoluted and difficult to distinguish experimentally. Here, we used synchrotron X-ray scattering and digital image correlation to differentiate between the microscopic mechanisms leading to large electrostrains in an exemplary Pb-free piezoceramic Sn-doped barium calcium zirconate titanate. Large electrostrains of ~0.2% measured at room-temperature are attributed to an unconventional effect, wherein polarization switching is aided by a reversible phase transition near the tetragonal-orthorhombic phase boundary. Additionally, electrostrains of ~0.1% or more could be maintained from room temperature to 140°C due to a succession of different microscopic mechanisms. In situ X-ray diffraction elucidates that while 90° domain reorientation is pertinent below the Curie temperature ( T C ), isotropic distortion of polar clusters is the dominant mechanism above T C .
36 MATERIALS SCIENCE↗