arXiv subjects

Kai Chang

Publications and source records attributed to Kai Chang.

At least 55 records · Page 3Linked to original sources

arXiv2025

Bicircular Light Induced Multi-State Geometric Current

We investigate the photocurrent induced by bicircular light (BCL) in materials, with a focus on its multi-state geometric nature. BCL, a combination of left- and right-circularly polarized light, can generate both injection and shift currents, originating from the geometric properties of gauge-invariant shift vectors, quantum geometric tensors, and triple-phase products. Crucially, the real parts of the quantum geometric tensors and triple-phase products remain nonzero in centrosymmetric systems, facilitating photocurrent generation in contrast to the traditional shift current bulk photovoltaic effect. Using a diagrammatic approach, we systematically analyze the BCL-induced photocurrents and demonstrate the multi-state geometric nature within a one-dimensional three-site Rice-Mele model. Our findings provide a quantum geometric understanding of BCL-induced photocurrents, underscoring the importance of considering multi-band contributions in real materials.

physics.optics↗

arXiv2025

Pure momentum-shift bulk photovoltaic effect in ferroelectric flat-band Mott insulators

The shift current photovoltaic effect is conventionally understood as the real-space displacement of a wave packet induced by photoexcitation. However, this interpretation becomes insufficient in flat-band systems, where quasiparticles are too massive to accelerate in real space under the optical electric field. Here, we developed a physically consistent method to decompose the shift current into real-space and momentum-space components. A surprising pure momentum-space shift current is found theoretically in flat-band Mott insulator Nb$_3$X$_8$ (X = Cl, Br, I) monolayers. This work underscores that significant shift current responses can emerge even in systems with minimal interband polarization differences, highlighting the potential for exploring novel bulk photovoltaic effects in flat-band Mott insulators.

cond-mat.mtrl-sci↗

arXiv2025

Quantum Geometric Origin of Strain-Induced Ferroelectric Phase Transitions

Strain-regulated ferroelectric (FE) materials have long attracted significant attention due to their diverse applications. While soft-phonon theory and the (pseudo) Jahn-Teller effect have achieved considerable success in providing phenomenological descriptions and general understanding, the detailed connection between these perspectives and their microscopic dependence on strain regulation remains unclear. Here, under the framework of density-functional perturbation theory (DFPT), we demonstrate that the Berry curvature of electron-phonon coupling (EPC) plays a pivotal role in the interatomic force matrix (IFM). A subsequent model analysis shows that external strain can reverse the polarity of the EPC Berry curvature in (quasi)-degenerate electronic subsystems through band inversion, thereby directly leading to phonon softening. The general theory is then applied to the BiOCl monolayer as a benchmark, which offers an accurate description of the density functional theory (DFT) calculations. This mechanism is further observed across a broad range of materials through ab initio calculations, providing an insightful perspective on EPC quantum geometry in lattice dynamics and FE phase transitions.

cond-mat.mtrl-sci↗

arXiv2025

Tilted chiral spin textures in confined nanostructures with in-plane magnetic anisotropy

We demonstrate that nanoconfinement effects and in-plane magnetic anisotropy (IMA) can lead to tilted chiral spin textures in magnetic nanostructures, based on the analysis and simulation of theoretical models of micromagnetism. The tilted skyrmions are induced in confined nanoscale magnets with IMA under perpendicular magnetic fields. The chiral magnetic structures depend significantly on the size of the nanostructures. A controlled string of periodic skyrmion states emerges within the central magnetic domain wall, which can be tuned by the steady magnetic fields and the size of the nanostructures. Non-trivial topological states with non-integer topological charges are achieved by tuning the magnetic fields or the sizes of the nanostructures. Importantly, the periodic switching between the trivial and the non-trivial topological configurations is realized using an alternating magnetic field. Our study reveals an important mechanism for controlling novel skyrmion states via nanoconfinement effects and the IMA in magnetic nanostructures, and also provides a new approach for the development of magnetic field-modulated spin nanodevices.

cond-mat.mes-hall↗

arXiv2024

High-throughput antibody screening with high-quality factor nanophotonics and bioprinting

Empirical investigation of the quintillion-scale, functionally diverse antibody repertoires that can be generated synthetically or naturally is critical for identifying potential biotherapeutic leads, yet remains burdensome. We present high-throughput nanophotonics- and bioprinter-enabled screening (HT-NaBS), a multiplexed assay for large-scale, sample-efficient, and rapid characterization of antibody libraries. Our platform is built upon independently addressable pixelated nanoantennas exhibiting wavelength-scale mode volumes, high-quality factors (high-Q) exceeding 5000, and pattern densities exceeding one million sensors per square centimeter. Our custom-built acoustic bioprinter enables individual sensor functionalization via the deposition of picoliter droplets from a library of capture antigens at rates up to 25,000 droplets per second. We detect subtle differentiation in the target binding signature through spatially-resolved spectral imaging of hundreds of resonators simultaneously, elucidating antigen-antibody binding kinetic rates, affinity constant, and specificity. We demonstrate HT-NaBS on a panel of antibodies targeting SARS-CoV-2, Influenza A, and Influenza B antigens, with a sub-picomolar limit of detection within 30 minutes. Furthermore, through epitope binning analysis, we demonstrate the competence and diversity of a library of native antibodies targeting functional epitopes on a priority pathogen (H5N1 bird flu) and on glycosylated therapeutic Cetuximab antibodies against epidermal growth factor receptor. With a roadmap to image tens of thousands of sensors simultaneously, this high-throughput, resource-efficient, and label-free platform can rapidly screen for high-affinity and broad epitope coverage, accelerating biotherapeutic discovery and de novo protein design.

physics.optics↗

arXiv2024

Semiconductive and Ferromagnetic Lanthanide MXenes Derived from Carbon Intercalated Two-dimensional Halides

Two-dimensional (2D) magnetic semiconductors are a key focus in developing next-generation information storage technologies. MXenes, as emerging 2D early transition metal carbides and nitrides, offer versatile compositions and tunable chemical structures. Incorporating lanthanide metals, with their unique role of 4f-electrons in engineering physical properties, into MXenes holds potential for advancing technological applications. However, the scarcity of lanthanide-containing ternary MAX phase precursors and the propensity of lanthanides to oxidize pose significant challenges to obtain lanthanide MXenes (Ln2CT2) via the top-down etching method. Here, we propose a general bottom-up methodology for lanthanide MXenes, that derive from carbon intercalated van der Waals building blocks of 2D halides. Compared to conventional MXenes conductors, the synthesized Ln2CT2 exhibit tunable band gaps spanning 0.32 eV to 1.22 eV that cover typical semiconductors such as Si (1.12 eV) and Ge (0.67 eV). Additionally, the presence of unpaired f-electrons endows Ln2CT2 with intrinsic ferromagnetism, with Curie temperatures ranging between 36 K and 60 K. Theoretical calculations reveal that, in contrast to traditional MXenes, the number of d-electrons states around the Fermi level are largely diminishes in bare Ln2C MXenes, and the halogen terminals can further exhaust these electrons to open band gaps. Meanwhile, the Ln-4f electrons in Ln2CT2 are highly localized and stay away from the Fermi level, contributing to the spin splitting for the observed ferromagnetic behavior. Lanthanide MXenes hold immense promise for revolutionizing future applications in spintronic devices.

cond-mat.mtrl-sci↗

arXiv2024

Intercalation of Functional Materials with Phase Transitions for Neuromorphic Applications

Introducing foreign ions, atoms, or molecules into emerging functional materials is crucial for manipulating material physical properties and innovating device applications. The intercalation of emerging new materials can induce multiple intrinsic changes, such as charge doping, chemical bonding, and lattice expansion, which facilitates the exploration of structural phase transformations, the tuning of symmetry-breaking-related physics, and the creation of brain-inspired advanced devices. Moreover, incorporating various hosts and intercalants enables a series of crystal structures with a rich spectrum of characteristics, greatly expanding the scope and fundamental understanding of existing materials. Herein, we summarize the methods typically used for the intercalation of functional materials. We highlight recent progress in intercalation-based phase transitions and their emerging physics, i.e., ferroelectric, magnetic, insulator-metal, superconducting, and charge-density-wave phase transitions. We discuss prospective device applications for intercalation-based phase transitions, i.e., neuromorphic devices. Finally, we provide potential future research lines for promoting its further development.

physics.app-ph↗

arXiv2024

Ultrafast manipulations of nanoscale skyrmioniums

The advancement of next-generation magnetic devices depends on fast manipulating magnetic microstructures on the nanoscale. A universal method is presented for rapidly and reliably generating, controlling, and driving nano-scale skyrmioniums, through high-throughput micromagnetic simulations. Ultrafast switches are realized between skyrmionium and skyrmion states and rapidly change their polarities in monolayer magnetic nanodiscs by perpendicular magnetic fields. The transition mechanism by alternating magnetic fields differs from that under steady magnetic fields. New skyrmionic textures, such as flower-like and windmill-like skyrmions, are discovered. Moreover, this nanoscale skyrmionium can move rapidly and stably in nanoribbons using weaker spin-polarized currents. Explicit discussions are held regarding the physical mechanisms involved in ultrafast manipulations of skyrmioniums. This work provides further physical insight into the manipulation and applications of topological skyrmionic structures for developing low-power consumption and nanostorage devices.

cond-mat.mes-hall↗

arXiv2024

Geodesic nature and quantization of shift vector

We present the geodesic nature and quantization of geometric shift vector in quantum systems, with the parameter space defined by the Bloch momentum, using the Wilson loop approach. Our analysis extends to include bosonic phonon drag shift vectors with non-vertical transitions. We demonstrate that the gauge invariant shift vector can be quantized as integer values, analogous to the Euler characteristic based on the Gauss-Bonnet theorem for a manifold with a smooth boundary. We reveal intricate relationships among geometric quantities such as the shift vector, Berry curvature, and quantum metric. Our findings demonstrate that the loop integral of the shift vector in the quantized interband formula contributes to the non-quantized component of the trace of conductivity in the circular photogalvanic effect. The Wilson loop method facilitates first-principles calculations, providing insights in the geometric underpinnings of these interband gauge invariant quantities and shedding light on their nonlinear optical manifestations in real materials.

cond-mat.mtrl-sci↗

arXiv2024

Self-supervised Representations and Node Embedding Graph Neural Networks for Accurate and Multi-scale Analysis of Materials

Supervised machine learning algorithms, such as graph neural networks (GNN), have successfully predicted material properties. However, the superior performance of GNN usually relies on end-to-end learning on large material datasets, which may lose the physical insight of multi-scale information about materials. And the process of labeling data consumes many resources and inevitably introduces errors, which constrains the accuracy of prediction. We propose to train the GNN model by self-supervised learning on the node and edge information of the crystal graph. Compared with the popular manually constructed material descriptors, the self-supervised atomic representation can reach better prediction performance on material properties. Furthermore, it may provide physical insights by tuning the range information. Applying the self-supervised atomic representation on the magnetic moment datasets, we show how they can extract rules and information from the magnetic materials. To incorporate rich physical information into the GNN model, we develop the node embedding graph neural networks (NEGNN) framework and show significant improvements in the prediction performance. The self-supervised material representation and the NEGNN framework may investigate in-depth information from materials and can be applied to small datasets with increased prediction accuracy.

cond-mat.mtrl-sci↗

arXiv2024

Theoretical Analysis for Expectation-Maximization-Based Multi-Model 3D Registration

We perform detailed theoretical analysis of an expectation-maximization-based algorithm recently proposed in for solving a variation of the 3D registration problem, named multi-model 3D registration. Despite having shown superior empirical results, did not theoretically justify the conditions under which the EM approach converges to the ground truth. In this project, we aim to close this gap by establishing such conditions. In particular, the analysis revolves around the usage of probabilistic tail bounds that are developed and applied in various instances throughout the course. The problem studied in this project stands as another example, different from those seen in the course, in which tail-bounds help advance our algorithmic understanding in a probabilistic way. We provide self-contained background materials on 3D Registration

cs.CV↗

arXiv2024

Very-Large-Scale-Integrated High-$Q$ Nanoantenna Pixels (VINPix)

Metasurfaces provide a versatile and compact approach to free-space optical manipulation and wavefront shaping. Comprised of arrays of judiciously-arranged dipolar resonators, metasurfaces precisely control the amplitude, polarization, and phase of light, with applications spanning imaging, sensing, modulation, and computing. Three crucial performance metrics of metasurfaces and their constituent resonators are the quality factor ($Q$-factor), mode-volume ($V_m$), and the ability to control far-field radiation. Often, resonators face a trade-off between these parameters: a reduction in $V_m$ leads to an equivalent reduction in $Q$, albeit with more control over radiation. Here, we demonstrate that this perceived compromise is not inevitable $-$ high-$Q$, subwavelength $V_m$, and controlled dipole-like radiation can be achieved, simultaneously. We design high-$Q$, very-large-scale integrated silicon nanoantenna pixels $-$ VINPix $-$ that combine guided mode resonance waveguides with photonic crystal cavities. With optimized nanoantennas, we achieve $Q$-factors exceeding 1500 with $V_m$ less than 0.1 $(λ/n_{\text{air}})^3$. Each nanoantenna is individually addressable by free-space light, and exhibits dipole-like scattering to the far-field. Resonator densities exceeding a million nanoantennas per $\text{cm}^2$ can be achieved, as demonstrated by our fabrication of an 8 mm x 8 mm VINPix array. As a proof-of-concept application, we demonstrate spectrometer-free, spatially localized, refractive-index sensing utilizing a VINPix array. Our platform provides a foundation for compact, densely multiplexed devices such as spatial light modulators, computational spectrometers, and in-situ environmental sensors.

physics.optics↗

arXiv2024

One-dimensional Multiferroic Semiconductor WOI3: Unconventional Anisotropic d^1 Rule and Bulk Photovoltaic Effect

The pursuit of multiferroic magnetoelectrics, combining simultaneous ferroelectric and magnetic orders, remains a central focus in condensed matter physics. Here we report the centrosymmetric, one-dimensional (1D) antiferromagnetic WOI$_3$ undergoes a strain-induced ferroelectric distortion. The paraelectric-ferroelectric transition is originated from the unconventional anisotropic $d^1$ mechanism, where an unpaired d electron of each W$^{5+}$ ion contributes to magnetic orders. Employing a Heisenberg model with Dzyaloshinskii-Moriya interaction, we predict an antiferromagnetic spin configuration as the paraelectric ground state, transitioning to a ferroelectric phase with noncollinear spin arrangement under uniaxial strain. The ferroelectric polarization and noncollinear spin arrangement can be manipulated by varying the applied strain. While the energy barriers for switching ferroelectric polarizations with magnetic orders are on the order of a few dozen of meV, the shift current bulk photovoltaic effect (BPVE) exhibits remarkable differences, providing a precise and valuable tool for experimentally probing the interplay of ferroelectric and magnetic orders in 1D WOI$_3$.

cond-mat.mtrl-sci↗

arXiv2024

Light-induced giant enhancement of nonreciprocal transport at KTaO3-based interfaces

Nonlinear transport is a unique functionality of noncentrosymmetric systems, which reflects profound physics, such as spin-orbit interaction, superconductivity and band geometry. However, it remains highly challenging to enhance the nonreciprocal transport for promising rectification devices. Here, we observe a light-induced giant enhancement of nonreciprocal transport at the superconducting and epitaxial CaZrO3/KTaO3 (111) interfaces. The nonreciprocal transport coefficient undergoes a giant increase with three orders of magnitude up to 105 A-1T-1. Furthermore, a strong Rashba spin-orbit coupling effective field of 14.7 T is achieved with abundant high-mobility photocarriers under ultraviolet illumination, which accounts for the giant enhancement of nonreciprocal transport coefficient. Our first-principles calculations further disclose the stronger Rashba spin-orbit coupling strength and the longer relaxation time in the photocarrier excitation process, bridging the light-property quantitative relationship. Our work provides an alternative pathway to boost nonreciprocal transport in noncentrosymmetric systems and facilitates the promising applications in opto-rectification devices and spin-orbitronic devices.

cond-mat.mes-hall↗

arXiv2023

Topological phase transition in a narrow bandgap semiconductor nanolayer

Narrow bandgap semiconductor nanostructures have been explored for realization of topological superconducting quantum devices in which Majorana states can be created and employed for constructing topological qubits. However, a prerequisite to achieve the topological phase transition in these nanostructures is application of a magnetic field, which could complicate the technology development towards topological quantum computing. Here we demonstrate that a topological phase transition can be achieved in a narrow bandgap semiconductor nanolayer under application of a perpendicular electric field. Based on full band structure calculations, it is shown that the topological phase transition occurs at an electric-field induced band inversion and is accompanied by a sharp change of the $\mathbb{Z}_{2}$ invariant at the critical field. We also demonstrate that the nontrivial topological phase is manifested by the quantum spin Hall edge states in a band-inverted nanolayer Hall-bar structure. We present the phase diagram of the nanolayer in the space of layer thickness and electric field strength, and discuss the optimal conditions to achieve a large topological bandgap in the electric-field induced topological phase of a semiconductor nanolayer.

cond-mat.mes-hall↗

arXiv2023

Strain effects in twisted spiral antimonene

van der Waals (vdW) layered materials exhibit fruitful novel physical properties. The energy band of such materials depends strongly on their structures and a tremendous variation in their physical properties can be deduced from a tiny change in inter-layer spacing, twist angle, or in-plane strain. In this work, a kind of vdW layered material of spiral antimonene is constructed, and the strain effects in the material are studied. The spiral antimonene is grown on a germanium (Ge) substrate and is induced by a helical dislocation penetrating through few-atomic-layers of antimonene (\b{eta}-phase). The as-grown spiral is intrinsically strained and the lattice distortion is found to be pinned around the dislocation. Both spontaneous inter-layer twist and in-plane anisotropic strain are observed in scanning tunneling microscope (STM) measurements. The strain in the spiral antimonene can be significantly modified by STM tip interaction, leading to a variation in the surface electronic density of states (DOS) and a large modification in the work function of up to a few hundreds of milli-electron-volts (meV). Those strain effects are expected to have potential applications in building up novel piezoelectric devices.

cond-mat.mtrl-sci↗

arXiv2023

Ferroelastic twin wall mediated ferro-flexoelectricity and bulk photovoltaic effect in SrTiO$_3$

Ferroelastic twin walls in nonpolar materials can give rise to a spontaneous polarization due to symmetry breaking. Nevertheless, the bi-stable polarity of twin walls and its reversal have not yet been demonstrated. Here, we report that the polarity of SrTiO$_3$ twin walls can be switched by ultra-low strain gradient. Using first-principles-based machine-learning potential, we demonstrate that the twin walls can be deterministically rotated and realigned in specific directions under strain gradient, which breaks the inversion symmetry of a sequence of walls and leads to a macroscopic polarization. The system can maintain polarity even after the strain gradient is removed. As a result, the polarization of twin walls can exhibit ferroelectric-like hysteresis loop upon cyclic bending, namely ferro-flexoelectricity. Finally, we propose a scheme to experimentally detect the polarity of twin wall by measuring the bulk photovoltaic responses. Our findings suggest a twin-wall-mediated ferro-flexoelectricity in SrTiO$_3$, which could be potentially exploited as functional elements in nano-electronic devices design.

cond-mat.mtrl-sci↗

arXiv2023

Geometric density of states of electronic structures for local responses: Phase information from the amplitudes of STM measurement

Electronic band structures underlie the physical properties of crystalline materials, their geometrical exploration renovates the conventional cognition and brings about novel applications. Inspired by geometry phases, we introduce a geometric amplitude named as the geometric density of states (GDOS) dictated by the differential curvature of the constant-energy contour. The GDOS determines the amplitude of the real-space Green's function making it attain the ultimate expression with transparent physics. The local responses of crystalline materials are usually formulated by the real-space Green's function, so the relevant physics should be refreshed by GDOS. As an example of local responses, we suggest using scanning tunneling microscopy (STM) to characterize the surface states of three-dimensional topological insulator under an in-plane magnetic field. The GDOS favors the straightforward simulation of STM measurement without resorting to Fourier transform of the real-space measurement, and also excavates the unexplored potential of STM measurement to extract the phase information of wavefunction through its amplitude, i.e., the spin and curvature textures. Therefore, the proposed GDOS deepens the understanding of electronic band structures and is indispensable in local responses, and it should be universal for any periodic systems.

cond-mat.mes-hall↗