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High-performance environment-friendly piezoelectric potassium sodium niobate (KNN)-based thin films have been emerged as promising lead-free candidates, while their substrate-dependent piezoelectricity faces the lack of high-quality information due to restraints in measurements. Although piezoresponse force microscopy (PFM) is a potential measuring tool, still its regular mode is not considered as a reliable characterization method for quantification. After combining machine-learning enabled analysis using PFM datasets, it is possible to measure piezoelectric properties quantitatively. Here we utilized advanced PFM technology empowered by machine learning to measure and compare the piezoelectricity of KNN based thin films on different substrates. The results provide a better understanding of the relationship between structures and piezoelectric properties of the thin films.

Magnetoelectric materials have been considered as promising candidates for data storage and sensors based on spintronic technology. Multiferroic BiFeO3–CoFe2O4 (BFO–CFO) epitaxial thin films deposited on a (111)-oriented SrTiO3 substrate exhibit ferromagnetism, piezoelectricity and strong magnetoelectric properties simultaneously. Interfacial strain between two phases plays a key role in such unique characters. Thus, strain engineering is a good method to enhance the magnetoelectric coupling effect. Here, to clearly understand the role of strain for further strain engineering, the interfacial strain between BFO and CFO and its evolution under electric/magnetic fields are investigated. This work semiquantitatively establishes a detailed relationship between the magnetoelectric coupling effect and interfacial strains – the piezoelectric amplitude drops by 44.7% and meanwhile the out-of-plane tensile strain rises by 11.0% under magnetic fields. This finding is helpful in optimizing multiferroic composite structures and achieving wider applications in future.

Ferroelectric domain walls have continued to attract widespread attention due to both the novelty of the phenomena observed and the ability to reliably pattern them in nanoscale dimensions. However, the conductivity mechanisms remain in debate, particularly around nominally uncharged walls. Here, we posit a conduction mechanism relying on field-modification effect from polarization re-orientation and the structure of the reverse-domain nucleus. Through conductive atomic force microscopy measurements on an ultra-thin (001) BiFeO3 thin film, in combination with phase-field simulations, we show that the field-induced twisted domain nucleus formed at domain walls results in local-field enhancement around the region of the atomic force microscope tip. In conjunction with slight barrier lowering, these two effects are sufficient to explain the observed emission current distribution. These results suggest that different electronic properties at domain walls are not necessary to observe localized enhancement in domain wall currents., Understanding the conductivity at the nominally uncharged domain walls in ferroelectrics is still far from complete. Here the authors report an enhanced conduction at domain walls in an ultra-thin (001) BiFeO3 film resulting from the formation of a field-induced meta-stable twisted domain nucleus.

The strong coupling between antiferromagnetism and ferroelectricity at room temperature found in BiFeO3 generates high expectations for the design and development of technological devices with novel functionalities. However, the multi-domain nature of the material tends to nullify the properties of interest and complicates the thorough understanding of the mechanisms that are responsible for those properties. Here we report the realization of a BiFeO3 material in thin film form with single-domain behaviour in both its magnetism and ferroelectricity: the entire film shows its antiferromagnetic axis aligned along the crystallographic b axis and its ferroelectric polarization along the c axis. With this we are able to reveal that the canted ferromagnetic moment due to the Dzyaloshinskii–Moriya interaction is parallel to the a axis. Furthermore, by fabricating a Co/BiFeO3 heterostructure, we demonstrate that the ferromagnetic moment of the Co film does couple directly to the canted moment of BiFeO3., The coupling of ferroelectric and antiferromagnetic order in BiFeO3 makes it appealing for applications however the presence of domain structure acts to undermine this potential. Here, the authors demonstrate BiFeO3 thin films with a single domain of electrical polarization and canted antiferromagnetic order.

To understand the effects of tellurium (Te) inclusions on the device performance of CdZnTe radiation detectors, the perturbation of the electrical field in and around Te inclusions was studied in CdZnTe single crystals via Kelvin probe force microscopy (KPFM). Te inclusions were proved to act as lower potential centers with respect to surrounding CdZnTe matrix. Based on the KPFM results, the energy band diagram at the Te/CdZnTe interface was established, and the bias-dependent effects of Te inclusion on carrier transportation is discussed.

Most ferroelectric transitions occur ultrafast and are time independent. However, here in (1-x) (Bi0.5Na0.5)TiO3-xBaTiO3, we have found a ferroelectric phase transition induced solely by increasing waiting time at certain temperatures (isothermal phase transition). Through cooling, a unique metastable state between a relaxor ferroelectric and a ferroelectric is unveiled, which in essence is initially a short-range ordered glassy state and then can evolve into a long-range ordered ferroelectric state through the isothermal process. It is also found that these isothermal ferroelectric transitions only occur within a specific temperature region with different waiting time needed. These features of isothermal phase transition can be understood by Landau theory analysis with the consideration of random defects as a competition between the thermodynamically favored long-range ordered state and the kinetically frustrated short-range ordered glassy state from random defects. This study offers a precise experimental as well as a phenomenological interpretation on the isothermal ferroelectric transition, which may help to further clarify the intricate structure-property relationship in this important lead-free piezoelectric material and other related systems.

Spatially resolved time and voltage-dependent polarization dynamics in PbTiO3 thin films is explored using dynamic piezoresponse force microscopy (D-PFM) in conjunction with interferometric displacement sensing. This approach gives rise to 4D data sets containing information on bias-dependent relaxation dynamics at each spatial location without long-range electrostatic artifacts. To interpret these data sets in the absence of defined physical models, we employ a non-negative tensor factorization method which clearly presents the data as a product of simple behaviors allowing for direct physics interpretation. Correspondingly, we perform phase-field modeling finding the existence of ‘hard’ and ‘soft’ domain wall edges. This approach can be extended to other multidimensional spectroscopies for which even exploratory data analysis leads to unsatisfactory results due to many components in the decomposition.

Machine learning of dynamic responses allows determination of structural phase transitions in relaxor ferroelectrics., Exploration of phase transitions and construction of associated phase diagrams are of fundamental importance for condensed matter physics and materials science alike, and remain the focus of extensive research for both theoretical and experimental studies. For the latter, comprehensive studies involving scattering, thermodynamics, and modeling are typically required. We present a new approach to data mining multiple realizations of collective dynamics, measured through piezoelectric relaxation studies, to identify the onset of a structural phase transition in nanometer-scale volumes, that is, the probed volume of an atomic force microscope tip. Machine learning is used to analyze the multidimensional data sets describing relaxation to voltage and thermal stimuli, producing the temperature-bias phase diagram for a relaxor crystal without the need to measure (or know) the order parameter. The suitability of the approach to determine the phase diagram is shown with simulations based on a two-dimensional Ising model. These results indicate that machine learning approaches can be used to determine phase transitions in ferroelectrics, providing a general, statistically significant, and robust approach toward determining the presence of critical regimes and phase boundaries.

The pursuit of more advanced electronics, finding solutions to energy needs, and tackling a wealth of social issues often hinges upon the discovery and optimization of new functional materials that enable disruptive technologies or applications. However, the discovery rate of these materials is alarmingly low. Much of the information that could drive this rate higher is scattered across tens of thousands of papers in the extant literature published over several decades, and almost all of it is not collated and thus cannot be used in its entirety. Many of these limitations can be circumvented if the experimentalist has access to systematized collections of prior experimental procedures and results that can be analyzed and built upon. Here, we investigate the property-processing relationship during growth of oxide films by pulsed laser deposition. To do so, we develop an enabling software tool to (1) mine the literature of relevant papers for synthesis parameters and functional properties of previously studied materials, (2) enhance the accuracy of this mining through crowd sourcing approaches, (3) create a searchable repository that will be a community-wide resource enabling material scientists to leverage this information, and (4) provide through the Jupyter notebook platform, simple machine-learning-based analysis to learn the complex interactions between growth parameters and functional properties (all data and codes available on https://github.com/ORNL-DataMatls). The results allow visualization of growth windows, trends and outliers, and which can serve as a template for analyzing the distribution of growth conditions, provide starting points for related compounds and act as feedback for first-principles calculations. Such tools will comprise an integral part of the materials design schema in the coming decade., 30 pages; 8 figures

With the rapid development of new device miniaturization technology, there is invigorated interest in magnetic nanostructures for potential application in novel multifunctional devices. In continuation to our search for a suitable magnetic material having Curie temperature (Tc) well above room temperature for multifunctional applications, we have studied the dielectric, optical, magnetic, and resistance switching characteristics of Ni0.65Zn0.35Fe2O4 (NZFO) thin films. The observation of only (004) reflection in the X-ray diffraction patterns confirms the c-axis orientation and high quality growth of NZFO thin films. The presence of mixed valences of Fe2+/Fe3+ cations is probed by X-ray photon spectroscopy, which supports the cationic ordering-mediated large dielectric response. Our investigations reveal NZFO to be an indirect band gap material (∼1.8 eV) with a direct gap at ∼2.55 eV. These nanostructures exhibit high saturation magnetization and a low coercive field with a ferrimagnetic–paramagnetic phase transition of ∼713 K. Magnetic force microscopy studies revealed the stripe-like domain structure of the investigated thin films. In addition, these thin films exhibit reliable and repeatable unipolar resistive switching characteristics. The observed high dielectric permittivity with low loss tangent, large magnetization with soft magnetic behavior, striped magnetic domain structure and reliable resistance switching in NZFO thin films above room temperature suggest potential application in memory, spintronics, and multifunctional devices.

Understanding the dynamic behavior of interfaces in ferroic materials is an important field of research with widespread practical implications, as the motion of domain walls and phase boundaries are associated with substantial increases in dielectric and piezoelectric effects. Although commonly studied in the macroscopic regime, the local dynamics of interfaces have received less attention, with most studies limited to domain growth and/or reversal by piezoresponse force microscopy (PFM). Here, spatial mapping of local domain wall-related relaxation in a tensile-strained PbTiO3 thin film using time-resolved band-excitation PFM is demonstrated, which allows exploring of the field-induced strain (piezoresponse) as a function of applied voltage and time. Through multivariate statistical analysis on the resultant 4-dimensional dataset (x,y,V,t) with functional fitting, it is determined that the relaxation is strongly correleated with the distance to the domain walls, and varies based on the type of domain wall present in the probed volume. Phase-field modeling shows the relaxation behavior near and away from the interfaces, and confirms the modulation of the z-component of polarization by wall motion, yielding the observed piezoresponse relaxation. These studies shed light on the local dynamics of interfaces in ferroelectric thin films, and are therefore important for the design of ferroelectric-based components in microelectromechanical systems.

The nonlinear response of a ferroic to external fields has been studied for decades, garnering interest for both understanding fundamental physics, as well as technological applications such as memory devices. Yet, the behavior of ferroelectrics at mesoscopic regimes remains poorly understood, and the scale limits of theories developed for macroscopic regimes are not well tested experimentally. Here, we test the link between piezo-nonlinearity and local piezoelectric strain hysteresis, via AC-field dependent measurements in conjunction with hysteresis measurements with varying voltage windows on (K,Na)NbO3 crystals with band-excitation piezoelectric force microscopy. The correlation coefficient between nonlinearity amplitude and the amplitude during hysteresis loop acquisition shows a clear decrease with increasing AC bias. Further, correlation of polynomial fitting terms from the nonlinear measurements with the hysteresis loop area reveals that the largest correlations are reserved for the quadratic term...