A5022556092- Ferroelectric and Piezoelectric Materials
- Electronic and Structural Properties of Oxides
- Machine Learning in Materials Science
- Ferroelectric and Negative Capacitance Devices
- Aluminum Alloys Composites Properties
- Thermal Expansion and Ionic Conductivity
- Aluminum Alloy Microstructure Properties
- Magnesium Alloys: Properties and Applications
- Electromagnetic Compatibility and Measurements
- MXene and MAX Phase Materials
- Acoustic Wave Resonator Technologies
- Thermal and Kinetic Analysis
- Quantum, superfluid, helium dynamics
- Multiferroics and related materials
- Advanced Sensor and Energy Harvesting Materials
- Semiconductor materials and devices
- Advanced Memory and Neural Computing
- 2D Materials and Applications
- Advanced Condensed Matter Physics
- Magnetic and transport properties of perovskites and related materials
- Graphene research and applications
- Smart Grid and Power Systems
- Microstructure and mechanical properties
- Ion-surface interactions and analysis
- Topological Materials and Phenomena
Ningbo Institute of Industrial Technology
2020-2025
Chinese Academy of Sciences
2020-2025
University of Chinese Academy of Sciences
2024-2025
South China Normal University
2020-2022
Zhaoqing University
2020-2022
North China Electric Power University
2017-2019
Northeastern University
2016-2018
Ferroelectric materials have switchable electrical polarization that is appealing for high-density nonvolatile memories. However, inevitable fatigue hinders practical applications of these materials. Fatigue-free ferroelectric switching could dramatically improve the endurance such devices. We report a fatigue-free system based on sliding ferroelectricity bilayer 3R molybdenum disulfide (3R-MoS 2 ). The memory performance this device does not show wake-up effect at low cycles or substantial...
Ferroelectrics are an integral component of the modern world and importance in electrics, electronics, biomedicine. However, their usage emerging wearable electronics is limited by inelastic deformation. We developed intrinsically elastic ferroelectrics combining ferroelectric response resilience into one material slight cross-linking plastic polymers. The precise can realize complex balance between crystallinity resilience. Thus, we obtained with a stable under mechanical deformation up to...
Hafnia-based compounds have considerable potential for use in nanoelectronics due to their compatibility with complementary metal-oxide-semiconductor devices and robust ferroelectricity at nanoscale sizes. However, the unexpected this class of often remains elusive polymorphic nature hafnia, as well lack suitable methods characterization mixed/complex phases hafnia thin films. Herein, preparation centimeter-scale, crack-free, freestanding Hf0.5 Zr0.5 O2 (HZO) nanomembranes that are suited...
The discovery of ferroelectric ${\mathrm{HfO}}_{2}$ in thin films and more recently bulk is an important breakthrough because its silicon compatibility unexpectedly persistent polarization at low dimensions, but the origin ferroelectricity still under debate. stabilization metastable polar orthorhombic phase was often considered as cumulative result various extrinsic factors such stress, grain boundary, oxygen vacancies well transition kinetics during annealing process. We propose a...
Strontium titanate ($\mathrm{SrTi}{\mathrm{O}}_{3}$) is regarded as an essential material for oxide electronics. One of its many remarkable features the subtle structural phase transition, driven by antiferrodistortive lattice mode, from a high-temperature cubic to low-temperature tetragonal phase. Classical molecular dynamics (MD) simulation efficient technique reveal atomistic but application often limited accuracy empirical interatomic potentials. Here, we develop accurate deep potential...
Ferroelastic twin walls in nonpolar materials can give rise to a spontaneous polarization due symmetry breaking. Nevertheless, the bistable polarity of and its reversal have not yet been demonstrated. Here, we report that ${\text{SrTiO}}_{3}$ be switched by an ultralow strain gradient. Using first-principles-based machine-learning potential, demonstrate deterministically rotated realigned specific directions under gradient, which breaks inversion sequence leads macroscopic polarization. The...
Two-dimensional van der Waals materials, possessing a unique stacking degree of freedom, offer an alternative strategy for modulating their properties through interlayer sliding. Controlling the order is crucial tuning material and developing slidetronics-based devices. Here, using machine-learning potentials, we propose mechanical bending approach to manipulate orders related in sliding ferroelectric h-BN, 3R-MoS_{2}, nonferroelectric bilayer graphene. Our simulations predict formation...
Lead zirconate titanate $(\mathrm{PbZ}{\mathrm{r}}_{1\ensuremath{-}x}\mathrm{T}{\mathrm{i}}_{x}{\mathrm{O}}_{3},\phantom{\rule{0.16em}{0ex}}\mathrm{PZT})$ exhibits excellent piezoelectric properties in the morphotropic phase boundary (MPB) region of its temperature-composition diagram. However, microscopic origin high response remains controversial. Here, we develop a machine-learning-based deep potential (DP) model PZT using training data set from first-principles density functional theory...
Superconductivity has recently been observed in Sr-doped ${\mathrm{NdNiO}}_{2}$ films grown on ${\mathrm{SrTiO}}_{3}$. Whether it is caused by or related to the interface remains an open question. To address this issue, we use density-functional theory calculation and charge-transfer self-consistent model study effects of polar discontinuity electronic atomic reconstruction at ${\mathrm{NdNiO}}_{2}/{\mathrm{SrTiO}}_{3}$ interface. We find that sharp with pure only energetically unfavorable,...
2D ferroelectrics with robust polar order in the atomic-scale thickness at room temperature are needed to miniaturize ferroelectric devices and tackle challenges imposed by traditional ferroelectrics. These materials usually have point group structure regarding as a prerequisite of ferroelectricity. Yet, introduce into otherwise nonpolar for producing ferroelectricity remains challenge. Here, combining first-principles calculations experimental studies, it is reported that native Ga...
Abstract The exchange bias (EB) effect plays an undisputed role in the state‐of‐art spintronic devices, both rigid and flexible. However, poor stability of EB under mechanical strain is detrimental to construction reliable flexible which poses a great challenge for potential wearable applications. Here, it revealed that strain‐induced variation field can be greatly suppressed by engineering IrMn/[Co/Pt] 3 systems featured with perpendicular magnetic anisotropy (PMA). Particularly,...
Ferroelectricity, especially the Si-compatible type recently observed in hafnia-based materials, is technologically useful for modern memory and logic applications, but it challenging to differentiate intrinsic ferroelectric polarization from polar phase oxygen vacancy. Here, we report electrically controllable ferroelectricity a Hf0.5Zr0.5O2-based heterostructure with Sr-doped LaMnO3, mixed ionic–electronic conductor, as an electrode. Electrically reversible extraction insertion of vacancy...
Understanding the mechanism of negative thermal expansion (NTE) and controlling properties materials at atomistic level have long captured attention scholars. In this regard, NTE fluorides such as monometallic $\mathrm{Sc}{\mathrm{F}}_{3}$ bimetallic like $\mathrm{CaZr}{\mathrm{F}}_{6}$ is particularly interesting; despite sharing similar crystal structure, exhibits a coefficient twice that $\mathrm{Sc}{\mathrm{F}}_{3}$. Why so? Here, we investigate structural vibrations these two substances...
Artificial superlattices have demonstrated many unique phenomena not found in bulk materials. For this investigation, SrTiO3/SrRuO3 paraelectric/metallic with various stacking periods were synthesized via pulsed laser deposition. A robust room-temperature ferroelectric polarization (∼46 μC/cm2) was the 2 unit cell (u.c.) thick SrRuO3 layers, despite fact that neither SrTiO3 nor is inherently ferroelectric. Results obtained from atomically resolved elemental mapping and X-ray photoelectron...
Two-dimensional (2D) van der Waals heterostructures consist of different 2D crystals with diverse properties, constituting the cornerstone new generation electronic devices. Yet interfaces in inevitably break bulk symmetry and structural continuity, resulting delicate atomic rearrangements novel structures. In this paper, we predict that undergo "spontaneous curvature", which means when two flat layers approach each other, they experience out-of-plane curvature. Based on...
Atomic-scale polar topologies such as skyrmions offer important potential technological paradigms for future electronic devices. Despite recent advances in the exploration of topological domains complicated perovskite oxide superlattices, these exotic ferroic orders are unavoidably disrupted at atomic scale due to intrinsic size effects. Here, based on first-principles calculations, we propose a new strategy design robust ferroelectricity atomically thin films by properly twisting 2...
Sliding ferroelectricity, which is a unique polarity recently discovered in bilayer van der Waals materials, achieves polarization switching through in-plane interlayer sliding. The mechanism, combining intralayer stiffness and slipperiness, leads to wider domain walls (DWs) faster DW motion compared conventional ferroelectrics. Herein, using machine-learning-assisted molecular dynamics simulations field theory analysis, we find the classical sliding ferroelectric 3R-MoS2 system exhibits...
Abstract Antiferroelectric (AFE) materials have received great attention because of their potential applications in the energy sector. Nevertheless, properties AFE not been explored for a long time, especially atomic‐scale understanding domain walls. Here, using first‐principles‐based machine learning potentials, we identify atomic structures, energies, and dynamic walls lead zirconate. It is found that wall can reduce critical antiferroelectric‐ferroelectric transition field. During...
Abstract The negative thermal expansion behavior (NTE) of Zn(CN)2 over a wide range temperature has received significant attention. Here, we develop machine learning interatomic potential and perform large-scale molecular dynamics simulations through which unveil the NTE mechanisms Zn(CN)2. Analysis trajectories atoms reveal that C N move on lateral side Zn…Zn axis with different distance. C≡N bond is not exactly parallel to axis. bridging exhibit unique motion combines movement tilted...
Abstract Using first‐principles‐based machine‐learning potential, molecular dynamics (MD) simulations are performed to investigate the micro‐mechanism in phase transition of . Treating DFT results low‐ and intermediate‐temperature phases as training data deep‐learning model, we successfully constructed an interatomic potential capable accurately reproducing transitions from low‐temperature (pressure) high‐temperature regimes. Notably, our predict a high‐pressure monoclinic (>14 GPa)...
Abstract Determining thermodynamic properties in disordered systems remains a formidable challenge because of the difficulty incorporating nuclear quantum effects into large‐scale and nonperiodic atomic simulations. In this study, we employ machine learning deep potential model conjunction with thermal bath method, enabling molecular dynamics to simulate quantities liquid materials satisfactory accuracy without significantly increasing computational costs. Using approach, accurately...