arXiv subjects

Jiangyu Li

Publications and source records attributed to Jiangyu Li.

At least 19 recordsLinked to original sources

arXiv2026

Python-Fortran Hybrid Programming to Fuse AI and Physical Models: Examples of AI-LDA in climate and weather models (Hf2pMDA_v1.0)

AI provides an unprecedented opportunity for advancing physics numerical modeling including data assimilation, which is a highly efficient and critically-important tool for advancing our understanding on Earth system and its applications. At the same time, deep incorporation of AI and physical modeling can make great driving to advance AI by injecting it rich physics from long time physics-based modeling development. However, since such physics models are conventionally coded in Fortran and AI algorithms usually are conveniently designed in Python, difficulties exist to directly incorporate AI algorithms into physics models, vice versa. Here, based on the F2PY protocol, we have developed a procedure that implements an infrastructure which conveniently conducts Hf2pMDA to form a program entity so that AI algorithms and physical models can invoke mutually. As examples, within Hf2pMDA, a climate coupled data assimilation (CDA) system is naturally upgraded to a strongly CDA (SCDA) system, and a 1 km high-resolution weather DA system is conveniently implemented within a multi-layer downscaling model that has multiscale DA in different nesting layers. In the climate SCDA system, a coupled general circulation model (CGCM) and a multiscale filtering algorithm is integrated by a Python main controller (PMC) that calls Fortran CGCM components and Weakly-CDA modules as well as a data-trained SCDA algorithm by latent space autoencoder in Python. In the high-resolution weather DA system, the downscaled model consisting of traditional Fortran DA modules in all mother domains and Python AE DA algorithm in the central child domain is integrated by a PMC that organizes these components. With convenient realization of deep incorporation of any AI algorithm and physics model, the Hf2pMDA has a great potential to make progress on both AI and scientific modeling.

physics.ao-ph↗

arXiv2025

Wafer-scale integration of single nanodiamonds via electrostatic-trapping

Nanodiamonds (NDs) are key materials for building nanoscale quantum sensing, imaging and communication devices. Scalable configuration of single NDs on heterogeneous platforms, forming photonic quantum source arrays, will be an essential solution towards realizing next-generation practical and industrial quantum devices. However, NDs are challenging to manipulate because their size, shape and surface chemistry vary substantially. Here, we show a simple method based on electrostatic-trapping to rapidly and reliably pattern single ND arrays on arbitrary substrates at scale. Our method, which uses carefully engineered microscale hole templates and electrostatic force, captures single NDs across 8-inch wafers with 82.5% yields within 5 min. Systematic experimental and theoretical studies show the number of deposited NDs primarily depends on the diameter of the hole trap. The method is compatible with mature CMOS technologies, enabling the mass production of scalable and integrable quantum devices. This advancement is expected to accelerate the commercialization and industrial adoption of ND-based technologies.

physics.optics↗

arXiv2024

On the negative capacitance in ferroelectric heterostructures

Negative capacitance can be used to overcome the lower limit of subthreshold swing (SS) in field effect transistors (FETs), enabling ultralow-power microelectronics, though the concept of ferroelectric negative capacitance remains contentious. In this work, we analyze the negative capacitance in ferroelectric/dielectric heterostructure rigorously using Landau-Denvonshire theory, identifying three (one) critical dielectric thicknesses for first (second) order ferroelectric phase transition upon which the stability of negative capacitance changes. A critical electric window is also identified, beyond which the ferroelectric negative capacitance cannot be maintained. Between the first and second critical thicknesses, meta-stable negative capacitance exists near zero polarization, yet it will be lost and cannot be recovered when the electric window is broken. Between the second and third critical thicknesses, stable negative capacitance always exists near zero polarization within the electric window regardless of initial polar state, resulting in hysteretic double P-E loop. Beyond the third (first) critical thickness of first (second) order phase transition, P-E loop becomes hysteresis free, though the spontaneous polarization can still be induced at sufficient large electric field. Singularities in the effective dielectric constant is also observed at the critical thickness or electric field. The analysis demonstrates that the negative capacitance of ferroelectric can be stabilized by linear dielectric within a critical electric window, and the negative capacitance can be either hysteresis free or hysteretic for first order ferroelectrics, while it is always hysteresis free for the second order ferroelectrics.

physics.app-ph↗

arXiv2024

High quality epitaxial piezoelectric and ferroelectric wurtzite Al$_{1-x}$Sc$_x$N thin films

Piezoelectric and ferroelectric wurtzite are promising to reshape modern microelectronics because they can be easily integrated with mainstream semiconductor technology. Sc doped AlN (Al$_{1-x}$Sc$_x$N) has attracted much attention for its enhanced piezoelectric and emerging ferroelectric properties, yet the commonly used sputtering results in polycrystalline Al$_{1-x}$Sc$_x$N films with high leakage current. Here we report the pulsed laser deposition of single crystalline epitaxial Al$_{1-x}$Sc$_x$N thin films on sapphire and 4H-SiC substrates. Pure wurtzite phase is maintained up to $x = 0.3$ with minimal oxygen contamination. Polarization is estimated to be 140 $μ$C/cm$^2$ via atomic scale microscopy imaging and found to be switchable via a scanning probe. The piezoelectric coefficient is found to be 5 times of undoped one when $x = 0.3$, making it desirable for high frequency radiofrequency (RF) filters and three-dimensional nonvolatile memories.

physics.app-ph↗

arXiv2024

Layer-dependent electromechanical response in twisted graphene moiré superlattices

The coupling of mechanical deformation and electrical stimuli at the nanoscale has been a subject of intense investigation in the realm of materials science. Recently, twisted van der Waals (vdW) materials have emerged as a platform to explore exotic quantum states. These states are intimately tied to the formation of moiré superlattices, which can be visualized directly exploiting the electromechanical response. However, the origin of the response, even in twisted bilayer graphene (tBLG), remains unsettled. Here, employing lateral piezoresponse force microscopy (LPFM), we investigate the electromechanical responses of marginally twisted graphene moiré superlattices with different layer thicknesses. We observe distinct LPFM amplitudes and spatial profiles in tBLG and twisted monolayer-bilayer graphene (tMBG), exhibiting effective in-plane piezoelectric coefficients of 0.05 pm/V and 0.35 pm/V, respectively. Force tuning experiments further underscore a marked divergence in their responses. The contrasting behaviors suggest different electromechanical couplings in tBLG and tMBG. In tBLG, the response near the domain walls is attributed to the flexoelectric effect, while in tMBG, the behaviors can be comprehended within the context of piezoelectric effect. Our results not only provide insights to electromechanical and corporative effects in twisted vdW materials with different stacking symmetries, but may also show their potential for engineering them at the nanoscale.

cond-mat.mes-hall↗

arXiv2023

Atomic-Scale Tracking Phase Transition Dynamics of Berezinskii-Kosterlitz-Thouless Polar Vortex-Antivortex

Particle-like topologies, such as vortex-antivortex (V-AV) pairs, have garnered significant attention in the field of condensed matter. However, the detailed phase transition dynamics of V-AV pairs, as exemplified by self-annihilation, motion, and dissociation, have yet to be verified in real space due to the lack of suitable experimental techniques. Here, we employ polar V-AV pairs as a model system and track their transition pathways at atomic resolution with the aid of in situ (scanning) transmission electron microscopy and phase field simulations. We demonstrate the absence of a Berezinskii-Kosterlitz-Thouless phase transition between the room-temperature quasi-long-range ordered ground phase and the high-temperature disordered phase. Instead, we observe polarization suppression in bound V-AV pairs as the temperature increases. Furthermore, electric fields can promote the vortex and antivortex to approach each other and annihilate near the interface. The elucidated intermediate dynamic behaviors of polar V-AV pairs under thermal- and electrical-fields lay the foundation for their potential applications in electronic devices. Moreover, the dynamic behaviors revealed at atomic scale provide us new insights into understanding topological phase of matter and their topological phase transitions.

physics.app-ph↗

arXiv2022

2D $\rm\bf {Be_{3}B_{2}C_{3}}$:a stable direct-bandgap semiconductor with record-breaking carrier mobility, $\rm\bf 8.1 \times 10^{5} cm^{2}V^{-1}s^{-1}$

The Moore's law in the semiconducting industry has faltered as the three-dimensional (3D) Si-based transistors has approached their physical limit with the downscaling. The carrier mobility $\rm μ$, critical to the device's performance, will be degraded when the thickness of Si is scaled into several nanometers. In contrast to the bulk counterpart, two-dimensional (2D) semiconductors can be scaled into atomic-layer thickness without dangling bonds, maintaining its intrinsic carrier mobility and going beyond the limits of Si-based electronics. Hence, the development of novel 2D semiconducting materials with high carrier mobility is the market demand as well as the scientific challenge. Here, we successfully designed 2D $\rm {Be_{3}B_{2}C_{3}}$ with planar hypercoordinate motif. It possesses the perfect planar skeleton with both pentacoordinate carbon and hexacoordinate boron moieties, which is the first reported material with such multi-hypercoordinate centers. Density functional theory (DFT) calculations prove that the $\rm {Be_{3}B_{2}C_{3}}$ monolayer has excellent structural and thermal stabilities as well as mechanical properties. Further investigations reveal that the $\rm {Be_{3}B_{2}C_{3}}$ monolayer has a strong ultrahigh Fermi velocity ($\rm 2.7 \times 10^{5} m/s$), suitable direct bandgap (1.97 eV), and high optical absorption coefficient ($\rm 10^{5}$). As a result, an unprecedented ultrahigh room-temperature carrier mobility ($\rm 8.1 \times 10^{5} cm^{2}V^{-1}s^{-1}$) with strong anisotropy is discovered, making $\rm {Be_{3}B_{2}C_{3}}$ monolayer a revolutionary candidate for future electronic and photovoltaic applications.

cond-mat.mtrl-sci↗

arXiv2022

Symmetry breaking and anomalous conductivity in a double moiré superlattice

A double moiré superlattice can be realized by stacking three layers of atomically thin two-dimensional materials with designer interlayer twisting or lattice mismatches. In this novel structure, atomic reconstruction of constituent layers could introduce significant modifications to the lattice symmetry and electronic structure at small twist angles. Here, we employ conductive atomic force microscopy (cAFM) to investigate symmetry breaking and local electrical properties in twisted trilayer graphene. We observe clear double moiré superlattices with two distinct moire periods all over the sample. At neighboring domains of the large moiré, the current exhibit either two- or six-fold rotational symmetry, indicating delicate symmetry breaking beyond the rigid model. Moreover, an anomalous current appears at the 'A-A' stacking site of the larger moiré, contradictory to previous observations on twisted bilayer graphene. Both behaviors can be understood by atomic reconstruction, and we also show that the cAFM signal of twisted graphene samples is dominated by the tip-graphene contact resistance that maps the local work function of twisted graphene and the metallic tip qualitatively. Our results unveil cAFM is an effective probe for visualizing atomic reconstruction and symmetry breaking in novel moiré superlattices, which could provide new insights for exploring and manipulating more exotic quantum states based on twisted van der Waals heterostructures.

cond-mat.mes-hall↗

arXiv2022

Antiphase boundary in CH$_3$NH$_3$PbI$_3$ repels charge carriers while promotes fast ion migrations

Defects in organic-inorganic hybrid perovskites (OIHPs) greatly influence their optoelectronic properties. Identification and better understanding of defects existing in OIHPs is an essential step towards fabricating high-performance perovskite solar cells. However, direct visualizing the defects is still a challenge for OIHPs due to their sensitivity during electron microscopy characterizations. Here, by using low dose scanning transmission electron microscopy techniques, we observe the common existence of antiphase boundary (APB) in CH$_3$NH$_3$PbI$_3$ (MAPbI$_3$), resolve its atomic structure, and correlate it to the electrical/ionic activities and structural instabilities. Such an APB is caused by the half-unit-cell shift of [PbI$_6$]$_4$-octahedron along the [100]/[010] direction, leading to the transformation from corner-sharing [PbI$_6$]$_4$-octahedron in bulk MAPbI$_3$ into edge-sharing ones at the APB. Based on the identified atomic-scale configuration, we further carry out density functional theory calculations and reveal that the APB in MAPbI$_3$ repels both electrons and holes while serves as a fast ion-migration channel, causing a rapid decomposition into PbI$_2$ that is detrimental to optoelectronic performance. These findings provide valuable insights into the relationships between structures and optoelectronic properties of OIHPs and suggest that controlling the APB is essential for their stability.

physics.app-ph↗

arXiv2021

Dynamics of Polar Skyrmion Bubbles under Electric Fields

Room-temperature polar skyrmion bubbles that are recently found in oxide superlattice, have received enormous interests for their potential applications in nanoelectronics due to the nanometer size, emergent chirality, and negative capacitance. For practical applications, the ability to controllably manipulate them by using external stimuli is prerequisite. Here, we study the dynamics of individual polar skyrmion bubbles at the nanoscale by using in situ biasing in a scanning transmission electron microscope. The reversible electric field-driven phase transition between topological and trivial polar states are demonstrated. We create, erase and monitor the shrinkage and expansion of individual polar skyrmions. We find that their transition behaviors are substantially different from that of magnetic analogue. The underlying mechanism is discussed by combing with the phase-field simulations. The controllable manipulation of nanoscale polar skyrmions allows us to tune the dielectric permittivity at atomic scale and detailed knowledge of their phase transition behaviors provides fundamentals for their applications in nanoelectronics.

cond-mat.mes-hall↗

arXiv2021

Unraveling intrinsic flexoelectricity in twisted double bilayer graphene

Moiré superlattices of two-dimensional (2D) materials with a small twist angle are thought to exhibit appreciable flexoelectric effect, though unambiguous confirmation of their flexoelectricity is challenging due to artifacts associated with commonly used piezoresponse force microscopy (PFM). For example, unexpectedly small phase contrast ($\sim$$8^{\circ}$) between opposite flexoelectric polarizations was reported in twisted bilayer graphene (tBG), though theoretically predicted value is $180^{\circ}$. Here we developed a methodology to extract intrinsic moiré flexoelectricity using twisted double bilayer graphene (tDBG) as a model system, probed by lateral PFM. For small twist angle samples, we found that a vectorial decomposition is essential to recover the small intrinsic flexoelectric response at domain walls from a large background signal. The obtained three-fold symmetry of commensurate domains with significant flexoelectric response at domain walls is fully consistent with our theoretical calculations. Incommensurate domains in tDBG with relatively large twist angles can also be observed by this technique. Our work provides a general strategy for unraveling intrinsic flexoelectricity in van der Waals moiré superlattices while providing insights into engineered symmetry breaking in centrosymmetric materials.

cond-mat.mtrl-sci↗

arXiv2021

Atomic-scale imaging of CH3NH3PbI3 structure and its decomposition pathway

Understanding the atomic structure and structural instability of organic-inorganic hybrid perovskites is the key to appreciate their remarkable photoelectric properties and failure mechanism. Here, using low-dose imaging technique by direct-detection electron-counting camera in transmission electron microscope, we investigate the atomic structure and decomposition pathway of CH3NH3PbI3 (MAPbI3) at the atomic scale. We successfully image the atomic structure of perovskite in real space under ultra-low electron dose condition, and observe a two-step decomposition process, i.e. initial loss of MA followed by the collapse of perovskite structure into 6H-PbI2 with their critical threshold dose also determined. Interestingly, an intermediate phase (MA0.5PbI3) with locally ordered vacancies can robustly exist before perovskite collapses, enlightening strategies for prevention and recovery of perovskite structure during degradation. Associated with structure evolution, the bandgap gradually increases from ~1.6 eV to ~2.1 eV, and it is found that both C-N and N-H bonds can be destroyed under irradiation, releasing NH3 and leaving hydrocarbons. These findings enhance our understanding of the photoelectric properties and failure mechanism of MAPbI3, providing potential strategy into material optimization.

physics.app-ph↗

arXiv2021

Polar or nonpolar? That is not the question for perovskite solar cells

Perovskite solar cell (PSC) is one of the most promising next generation photovoltaic technologies, and there are considerable interests in the role of possible polarization of organic-inorganic halide perovskites (OIHPs) in photovoltaic conversion. The polarity of OIHPs, however, is still hotly debated. In this review, we examine recent literature on the polarity of OIHPs from both theoretical and experimental points of view, and argue that they can be both polar and nonpolar, depending on compositions, processing, and environments. Implications of OIHP polarity to photovoltaic conversion is also discussed, and effort in answering these questions continues to render us new insights. In the future, integrating local scanning probe with global macroscopic measurements in-situ will provide invaluable microscopic insight into the intriguing macroscopic phenomena, while synchrotron diffractions and scanning transmission electron microscopy on more stable samples may ultimately settle the debate.

physics.app-ph↗

arXiv2021

Imaging graphene moiré superlattices via scanning Kelvin probe microscopy

Moiré superlattices in van der Waals heterostructures are gaining increasing attention because they offer new opportunities to tailor and explore unique electronic phenomena when stacking 2D materials with small twist angles. Here, we reveal local surface potentials associated with stacking domains in twisted double bilayer graphene (TDBG) moiré superlattices. Using a combination of both lateral Piezoresponse Force Microscopy (LPFM) and Scanning Kelvin Probe Microscopy (SKPM), we distinguish between Bernal (ABAB) and rhombohedral (ABCA) stacked graphene and directly correlate these stacking configurations with local surface potential. We find that the surface potential of the ABCA domains is ~15 mV higher (smaller work function) than that of the ABAB domains. First-principles calculations based on density functional theory further show that the different work functions between ABCA and ABAB domains arise from the stacking dependent electronic structure. We show that, while the moiré superlattice visualized by LPFM can change with time, imaging the surface potential distribution via SKPM appears more stable, enabling the mapping of ABAB and ABCA domains without tip-sample contact-induced effects. Our results provide a new means to visualize and probe local domain stacking in moiré superlattices along with its impact on electronic properties.

cond-mat.mtrl-sci↗

arXiv2020

Understanding the morphotropic phase boundary of perovskite solid solutions as a frustrated state

Perovskite solid solutions that have a chemical composition A(C$_x$D$_{1-x})$O$_3$ with transition metals C and D substitutionally occupying the B site of a perovskite lattice are attractive in various applications for their dielectric, piezoelectric and other properties. A remarkable feature of these solid solutions is the \emph{morphotropic phase boundary} (MPB), the composition across which the crystal symmetry changes. Critically, it has long been observed that the dielectric and piezoelectric as well as the ability to pole a ceramic increases dramatically at the MPB. While this has motivated much study of perovskite MPBs, a number of important questions about the role of disorder remain unanswered. We address these questions using a new approach based on the random-field Ising model with long-range interactions that incorporates the basic elements of the physics at the meso-scale. We show that the MPB emerges naturally in this approach as a frustrated state where stability is exchanged between two well-defined phases. Specifically, long-range interactions suppress the disorder at compositions away from MPB but are unable to do so when there is an exchange of stability. Further, the approach also predicts a number of experimentally observed features like the fragmented domain patterns and superior ability to pole at the MPB. The insights from this model also suggest the possibility of entirely new materials with strong ferroelectric-ferromagnetic coupling using an MPB.

cond-mat.mes-hall↗

arXiv2020

Creating topological polar structure in a nonpolar matter

Nontrivial topological structures offer rich playground in condensed matter physics including fluid dynamics, superconductivity, and ferromagnetism, and they promise alternative device configurations for post-Moore spintronics and electronics. Indeed, magnetic skyrmions are actively pursued for high-density data storage, while polar vortices with exotic negative capacitance may enable ultralow power consumption in microelectronics. Following extensive investigations on a variety of magnetic textures including vortices, domain walls and skyrmions in the past decades, studies on polar topologies have taken off in recent years, resulting in discoveries of closure domains, vortices, and skyrmions in ferroelectric materials. Nevertheless, the atomic-scale creation of topological polar structures is largely confined in a single ferroelectric system, PbTiO3 (PTO) with large polarization, casting doubt on the generality of polar topologies and limiting their potential applications. In this work, we successfully create previously unrealized atomic-scale polar antivortices in the nominally nonpolar SrTiO3 (STO), expanding the reaches of topological structures and completing an important missing link in polar topologies. The work shed considerable new insight into the formation of topological polar structures, and offers guidance in searching for new polar textures.

cond-mat.mtrl-sci↗

arXiv2020

Transmission electron microscopy of organic-inorganic hybrid perovskites: myths and truths

Organic-inorganic hybrid perovskites (OIHPs) have attracted extensive research interest as a promising candidate for efficient and inexpensive solar cells. Transmission electron microscopy characterizations that can benefit the fundamental understanding and the degradation mechanism are widely used for these materials. However, their sensitivity to the electron beam illumination and hence structural instabilities usually prevent us from obtaining the intrinsic information or even lead to significant artifacts. Here, we systematacially investigate the structural degradation behaviors under different experimental factors to reveal the optimized conditions for TEM characterizations of OIHPs by using low-dose electron diffraction and imaging techniques. We find that a low temperature does not slow down the beam damage but instead induces a rapid amorphization for OIHPs. Moreover, a less severe damage is observed at a higher accelerating voltage. The beam-sensitivity is found to be facet-dependent that a (100) exposed MAPbI3 surface is more stable than (001) surface. With these guidance, we successfully acquire the atomic structure of pristine MAPbI3 and identify the characterization window that is very narrow. These findings are helpful to guide future electron microscopy characterization of these beam-sensitive materials, which are also useful for finding strategies to improve the stability and the performance of the perovskite solar cells.

physics.app-ph↗

arXiv2019

Solution Processed Large-scale Multiferroic Complex Oxide Epitaxy with Magnetically Switched Polarization

Complex oxides with tunable structures have many fascinating properties, though high-quality complex oxide epitaxy with precisely controlled composition is still out of reach. Here we have successfully developed solution-based single crystalline epitaxy for multiferroic (1-x)BiTi(1-y)/2FeyMg(1-y)/2O3-(x)CaTiO3 (BTFM-CTO) solid solution in large area, confirming its ferroelectricity at atomic-scale with a spontaneous polarization of 79~89uC/cm2. Careful compositional tuning leads to a bulk magnetization of ~0.07uB/Fe at room temperature, enabling magnetically induced polarization switching exhibiting a large magnetoelectric coefficient of 2.7-3.0X10-7s/m. This work demonstrates the great potential of solution processing in large-scale complex oxide epitaxy and establishes novel room-temperature magnetoelectric coupling in epitaxial BTFM-CTO film, making it possible to explore a much wider space of composition, phase, and structure that can be easily scaled up for industrial applications.

cond-mat.mtrl-sci↗