Article
Materials Science, Multidisciplinary
Le Van Lich, Ngoc-Lu Vu, Tinh Quoc Bui, Trong-Giang Nguyen, Van-Hai Dinh
Summary: An alternative design strategy for enhanced electromechanical responses is demonstrated by engineering ferroelectric PbZr1-xTixO3 nano-heterostructures. The study reveals that the reduction of film thickness can lead to unusual behaviors of domain structures and significantly enhance piezoelectricity.
MATERIALS RESEARCH BULLETIN
(2021)
Article
Chemistry, Physical
Megha Acharya, Handong Ling, Djamila Lou, Maya Ramesh, Brendan Hanrahan, Gabriel Velarde, Mark Asta, Kristin Persson, Lane W. Martin
Summary: Epitaxial PbHf1-xTixO3/SrTiO3(001) thin-film heterostructures were studied for potential morphotropic phase boundary (MPB) effects similar to the PbZr1-xTixO3 system. The PbHf1-xTixO3 system showed different crystal structures and ferroelectric behavior for intermediate compositions, making it a viable alternative to the PbZr1-xTixO3 system.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Guoqiang Xi, Zhao Pan, Yue-Wen Fang, Jie Tu, Hangren Li, Qianqian Yang, Chen Liu, Huajie Luo, Jiaqi Ding, Shuai Xu, Shiqing Deng, Qingxiao Wang, Dongxing Zheng, Youwen Long, Kuijuan Jin, Xixiang Zhang, Jianjun Tian, Linxing Zhang
Summary: A method of anion-induced polarization rotation with chemical strain is proposed to improve the ferroelectricity of BiFeO3 thin films. The sulfurization of the films leads to a substantial enhancement in room-temperature ferroelectric polarization, increasing the remnant polarization by 170% from 58 to 100.7 μC cm(-2).
MATERIALS HORIZONS
(2023)
Article
Physics, Applied
Urska Trstenjak, Nina Daneu, Iegor Rafalovskyi, Jamal Belhadi, Damjan Vengust, Jiri Hlinka, Matjaz Spreitzer
Summary: Understanding the relationship between the structural characteristics and functional properties of complex relaxor ferroelectric thin films is crucial for designing high-performance materials. This study analyzed the structure of epitaxial relaxed pulsed-laser-deposited PMN-xPT thin films and revealed the preference of the tetragonal-like ferroelectric phase with polarization perpendicular to the film. The results were supported by electromechanical property measurements, showing a locally non-centrosymmetric structure.
APPLIED PHYSICS LETTERS
(2022)
Article
Physics, Multidisciplinary
Lin Cui, Bai Gang, Li Wei, Gao Cun-Fa
Summary: This study investigated the microscopic domain evolution in a ferroelectric film using Landau-Khalatnikov theory and found that compressive strain enhances the negative capacitance effect (NCE), while tensile strain weakens it. Furthermore, under certain strain conditions, NCE becomes stronger at lower temperatures.
ACTA PHYSICA SINICA
(2021)
Article
Multidisciplinary Sciences
Ilya Svetlizky, Seongsoo Kim, David A. Weitz, Frans Spaepen
Summary: This study uses colloidal crystals to investigate the interactions and evolution of dislocations during plastic deformation, providing insights into the macroscopic deformation and atomic-scale dislocation dynamics of materials.
NATURE COMMUNICATIONS
(2023)
Article
Engineering, Electrical & Electronic
Abhipshit Kumar, Sujoy Saha, Hariom Prakash, Bhoopesh Mahale, Ram Prakash Singh, Anil Adukkadan, Rajeev Ranjan, Naveen Kumar
Summary: In this study, the influence of high temperature processing environment on the electromechanical response of a high-performance piezoelectric system (PMNPZT) was investigated. It was found that the environment which generates more defects significantly improves both the weak signal and large signal electromechanical response of the system.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2023)
Article
Nanoscience & Nanotechnology
Yu-Qing Hu, Ning-Tao Liu, Jie Lao, Rui-Hong Liang, Xing Deng, Zhao Guan, Bin-Bin Chen, Hui Peng, Ni Zhong, Ping-Hua Xiang, Chun-Gang Duan
Summary: Ferroelectric solid solutions near the morphotropic phase boundary, such as the BF-BT system, have shown excellent ferroelectric and piezoelectric properties, making them highly promising for lead-free electronic devices.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Materials Science, Multidisciplinary
Xiaozhe Yin, Chao Chen, Zhen Fan, Minghui Qin, Min Zeng, Xubing Lu, Guofu Zhou, Xingsen Gao, Deyang Chen, Jun-Ming Liu
Summary: By utilizing strain engineering and chemical doping, the coexistence of multiple morphotropic phase boundaries (multi-MPBs) in highly strained La-doped BiFeO3 thin films has been demonstrated. The reversible switching of these multi-MPBs can be achieved by applying an electric field, leading to enhanced electromechanical coupling response compared to pure BiFeO3. This discovery opens up a new field for obtaining high-performance piezoelectric materials.
MATERIALS TODAY PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Temuujin Bayaraa, Yurong Yang, Meng Ye, L. Bellaiche
Summary: First-principles calculations were used to compute linear magnetoelectric coupling coefficients in epitaxial (001) Sr0.5Ba0.5MnO3 films, revealing a significant enhancement of different linear magnetoelectric elements in a strained-induced morphotropic phase boundary region. This enhancement is attributed to the behavior of dielectric susceptibility and is accurately explained by a simple phenomenological model. This study offers a promising approach for designing single-phase multiferroic materials with colossal magnetoelectric conversion.
Article
Nanoscience & Nanotechnology
Jin Hong Lee, Lourdes Marcano, Raphael Aeschlimann, Mohamad-Assaad Mawass, Chen Luo, Alexandre Gloter, Julien Varignon, Florin Radu, Sergio Valencia, Manuel Bibes
Summary: Epitaxial strain is applied to orthorhombic chromites to engineer their physical properties, particularly their antiferromagnetic spin order, which is strongly tunable by the applied strain. The orthorhombic chromites exhibit a higher dimensionless figure of merit compared to other perovskites, suggesting their potential use in energy-efficient piezo-spintronic devices.
Article
Mechanics
D. L. Shan, C. H. Lei, Y. C. Cai, K. Pan, Y. Y. Liu
Summary: This study presents a mesoscopic mechanical control method, based on entropy analysis, to manipulate the electrocaloric response in epitaxial ferroelectric thin films for practical cooling applications at different temperatures. By adjusting the chemical composition, misfit strain, and external stress, it is possible to control the phase structures, phase transition temperatures, and electrocaloric response in BaxSr1-xTiO3 thin films.
INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES
(2021)
Article
Materials Science, Multidisciplinary
Yanzhe Dong, Xiaoyan Lu, Jinhui Fan, Si-Young Choi, Hui Li
Summary: The phase coexistence and domain morphology of PbTiO3 epitaxial films were studied, revealing their existence in multiple domain structures that can be diversified by different substrate strains.
Article
Materials Science, Multidisciplinary
Hui Liu, Zheng Sun, Shengdong Sun, Huajie Luo, He Qi, Jun Chen
Summary: This study reports a field-induced saturated polarization alignment achieved through local polarization rotation in rhombohedral Pb(Zr0.54Ti0.46)O3. The research found that the polarization alignment can reach the upper limit of the theoretically calculated value and can be maintained after the electric field is removed. Additionally, large local piezoelectric strain and intrinsic lattice piezoelectric response were observed during the poling process.
Article
Chemistry, Physical
Yun Ou, Yingying Wu, Jinlin Peng
Summary: The influences of misfit strains on the phase structures, electromechanical properties, and electrocaloric responses in epitaxial PIN-PMN-PT thin films were investigated, revealing the possible existence of different phases with distinct superior properties at different phase boundaries.
Article
Chemistry, Physical
Jonghee Yang, Diana K. LaFollette, Benjamin J. Lawrie, Anton V. Ievlev, Yongtao Liu, Kyle P. Kelley, Sergei V. Kalinin, Juan-Pablo Correa-Baena, Mahshid Ahmadi
Summary: Mixed cesium- and formamidinium-based metal halide perovskites (MHPs) are promising photovoltaic materials, but high cesium ratios result in chemical complexities and local inhomogeneities, compromising the optoelectronic performance.
ADVANCED ENERGY MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Wan-Yu Tsai, Shelby B. Pillai, Karthik Ganeshan, Saeed Saeed, Yawei Gao, Adri C. T. van Duin, Veronica Augustyn, Nina Balke
Summary: In this study, the deformation of birnessite (& delta;-MnO2) electrode during charge storage in aqueous electrolytes was investigated. The effect of electrolyte cation and electrode morphology on the deformation was analyzed using operando atomic force microscopy (AFM) and molecular dynamics (MD) simulation. The results showed that the electrode underwent expansion during cation intercalation in both K2SO4 and Li2SO4 electrolytes, but with different potential dependencies. The stronger cation-birnessite interaction in Li2SO4 electrolyte resulted in higher local stress heterogeneity, leading to pronounced electrode degradation.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Yongtao Liu, Jonghee Yang, Benjamin J. Lawrie, Kyle P. Kelley, Maxim Ziatdinov, Sergei V. Kalinin, Mahshid Ahmadi
Summary: The increasing photovoltaic efficiency and stability of metal halide perovskites (MHPs) are attributed to the improvement in understanding the microstructure of polycrystalline MHP thin films. A workflow combining conductive atomic force microscopy (AFM) measurement with a machine learning (ML) algorithm was designed to systematically investigate the grain boundaries in MHPs. This approach revealed that the properties of grain boundaries play critical roles in MHP stability.
Article
Chemistry, Physical
Yongtao Liu, Jonghee Yang, Rama K. Vasudevan, Kyle P. Kelley, Maxim Ziatdinov, Sergei Kalinin, Mahshid Ahmadi
Summary: We demonstrate an active machine learning framework for driving an automated scanning probe microscope (SPM) to discover the microstructures responsible for specific aspects of transport behavior in metal halide perovskites (MHPs). This approach allows the microscope to discover the microstructural elements that maximize the onset of conduction, hysteresis, or any other characteristic derived from a set of current-voltage spectra. It provides new opportunities for exploring the origins of materials functionality in complex materials by SPM and can be integrated with other characterization techniques.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Review
Materials Science, Multidisciplinary
Jonghee Yang, Sergei V. Kalinin, Ekin D. Cubuk, Maxim Ziatdinov, Mahshid Ahmadi
Summary: Low-dimensional hybrid perovskites combine the physical functionalities of inorganic materials and complexity of organic molecules to form self-organized complex structures. These materials offer high-performance optoelectronics and versatile applications, and can be produced cost-effectively.
Letter
Chemistry, Physical
Andrew R. Akbashev, Sergei V. Kalinin
Article
Physics, Multidisciplinary
Shuai Yuan, Zuhuang Chen, Sergei Prokhorenko, Yousra Nahas, Laurent Bellaiche, Chenhan Liu, Bin Xu, Lang Chen, Sujit Das, Lane W. Martin
Summary: Using phase-field simulations, the evolution of polar topology and the emergence of a hexagonal close-packed skyrmion lattice in ultrathin ferroelectric PbTiO3 films is explored. The lattice can be stabilized under an external electric field and the lattice constants increase with film thickness. These studies pave the way for the development of novel ordered condensed matter phases in nanoscale ferroelectrics.
PHYSICAL REVIEW LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Muammer Y. Yaman, Sergei V. Kalinin, Kathryn N. Guye, David S. Ginger, Maxim Ziatdinov
Summary: The application of machine learning is demonstrated for rapidly and accurately extracting plasmonic particles cluster geometries from hyperspectral image data using a dual variational autoencoder (dual-VAE). This approach shares information between the latent spaces of two VAEs, one handling particle shape data and the other handling spectral data, while enforcing a common encoding for shape-spectra pairs. The results show that this approach can establish the relationship between the geometric characteristics of nanoparticles and their far-field photonic responses, allowing for accurate prediction of the geometry of multiparticle assemblies below the diffraction limit using hyperspectral darkfield microscopy in an automated manner.
Article
Chemistry, Physical
Yongtao Liu, Rama K. K. Vasudevan, Kyle P. Kelley, Hiroshi Funakubo, Maxim Ziatdinov, Sergei V. V. Kalinin
Summary: We developed automated experiment workflows for identifying the best predictive channel in spectroscopic measurements. The approach combines ensembled deep kernel learning for probabilistic predictions and reinforcement learning for channel selection. The implementation in multimodal imaging of piezoresponse force microscopy (PFM) showed that the amplitude is the best predictive channel for polarization-voltage and frequency-voltage hysteresis loop areas. This workflow and code can be applied to other multimodal imaging and local characterization methods.
NPJ COMPUTATIONAL MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Xianlong Cheng, Chao Zhou, Baichen Lin, Zhenni Yang, Shanquan Chen, Kelvin H. L. Zhang, Zuhuang Chen
Summary: Fluorite-structured Hf0.5Zr0.5O2 (HZO) thin films have gained attention for their good CMOS-compatibility and robust ferroelectricity. However, the challenges of high leakage current and poor endurance hinder the application of HZO in microelectronic devices. This study investigates the electric properties of Pt/HZO/La0.7Sr0.3MnO3 (LSMO) heterostructures and finds that the leakage mechanism is dominated by Schottky emission. By post-annealing in oxygen atmosphere, the barrier height can be increased, effectively reducing leakage current and improving endurance.
APPLIED MATERIALS TODAY
(2023)
Article
Physics, Applied
Jinyuan Yao, Yongtao Liu, Shaoqing Ding, Yanglin Zhu, Zhiqiang Mao, Sergei V. Kalinin, Ying Liu
Summary: Ferroelectricity in van der Waals layered material has attracted significant attention. The ferroelectric properties of CuInP2S6 (CIPS), which is the only van der Waals layered material that has demonstrated ferroelectricity in the bulk, have been observed to persist even at a few nanometers thickness. However, the potential device applications of CIPS' ferroelectric properties are just beginning to be explored.
APPLIED PHYSICS LETTERS
(2023)
Article
Energy & Fuels
Or Shafir, Andrew L. Bennett-Jackson, Alexandria R. Will-Cole, Atanu Samanta, Dongfang Chen, Adrian Podpirka, Aaron Burger, Liyan Wu, Eduardo Lupi Sosa, Lane W. Martin, Jonathan E. Spanier, Ilya Grinberg
Summary: By tuning fundamental ferroelectric properties, a high BPE photoresponse can be achieved in an ordinary thin-film configuration. The responsivity shows a nonmonotonic dependence on ferroelectric polarization, and at the optimal value, it increases by three orders of magnitude compared to the bulk BaTiO3.
Article
Computer Science, Artificial Intelligence
Maxim Ziatdinov, Chun Yin (Tommy) Wong, Sergei Kalinin
Summary: Recent advances in scanning tunneling and transmission electron microscopies have generated large volumes of imaging data containing information on the structure and functionality of materials. However, automatic extraction and classification of patterns in the images is non-trivial. To address this problem, the authors propose a shift-invariant variational autoencoder approach and demonstrate its effectiveness on 1D, synthetic, and experimental data. The shift VAE analysis shows promise for pattern discovery, but also has limitations.
MACHINE LEARNING-SCIENCE AND TECHNOLOGY
(2023)
Article
Nanoscience & Nanotechnology
Wan-Yu Tsai, Shelby B. B. Pillai, Karthik Ganeshan, Saeed Saeed, Yawei Gao, Adri C. T. van Duin, Veronica Augustyn, Nina Balke
Summary: The effect of electrolyte cation and electrode morphology on the deformation of birnessite (delta-MnO2) during charge storage in aqueous electrolytes was investigated. The results showed that the delta-MnO2 electrode underwent expansion during cation intercalation, but with different potential dependencies. The stronger cation-birnessite interaction in Li2SO4 electrolyte led to higher local stress heterogeneity, which might be the reason for the pronounced electrode degradation in this electrolyte.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Materials Science, Multidisciplinary
Baichen Lin, Yanyi Zhang, Hongjian Zhang, Haofei Wu, Junda Shao, Jian Shao, Kai Liu, Shanquan Chen, Chao Zhou, Xianlong Cheng, Jingyu Lu, Kailong Hu, Yan Huang, Weiwei Zhao, Pan Liu, Jixin Zhu, Hua-Jun Qiu, Zuhuang Chen
Summary: Two-dimensional (2D) metals have attracted significant attention for their unique properties and potential applications. However, the fabrication of atomically thin 2D metals remains challenging. In this study, we demonstrate a general method to fabricate freestanding, high-quality 2D metals with large aspect ratios and controllable thickness using Pt as a model system.
ACS MATERIALS LETTERS
(2023)