High-power handling and bias stability of thin-film Lithium Tantalate microring and coupling resonators

Authors: Ayed Sayem, Shiekh Zia Uddin, Ting-Chen Hu, Alaric Tate, Mark Cappuzzo, Rose Kopf, Mark Earnshaw

Published: January 31, 2026

In this paper, we demonstrate the ultra-high-power handling capability and DC bias stability of optical microring and electro-optic (EO) coupling resonators on the thin-film lithium tantalate (TFLT) platform. We show that, with annealing, oxide-cladded TFLT resonators can handle several watts (4W) of circulating power with minimal frequency shift and no observable photo-refractive effect. Furthermore, we demonstrate a compact 2mm coupling modulator achieving a low Vpi of 3V with stable bias and phase control in the telecom C-band.

Efficient and tunable narrowband second-harmonic generation by a large-area etchless lithium niobate metasurface

Authors: Yaping Hou, Yigong Luan, Yu Fan, Alfonso Nardi, Attilio Zilli, Bobo Du, Jinyou Shao, Marco Finazzi, Chunhui Wang, Lei Zhang, Michele Celebrano

Published: January 31, 2026

Optical resonances in nanostructures enable strong enhancement of nonlinear processes at the nanoscale, such as second-harmonic generation (SHG), with high-$Q$ modes providing intensified light--matter interactions and sharp spectral selectivity for applications in filtering, sensing, and nonlinear spectroscopy. Thanks to the recent advances in thin-film lithium niobate (TFLN) technology, these key features can be now translated to lithium niobate for realizing novel nanoscale nonlinear optical platforms. Here, we demonstrate a large-area metasurface, realized by scalable nanoimprint lithography, comprising a slanted titanium dioxide (TiO$_2$) nanograting on etchless TFLN for efficient narrowband SHG. This is enabled by the optimal coupling of quasi-bound state in the continuum (q-BIC) modes with a narrowband pulsed laser pump. The demonstrated normalized SHG efficiency is $0.15\%\,\mathrm{cm}^2/\mathrm{GW}$, which is among the largest reported for LN metasurfaces. The low pump peak intensity ($3.64~\mathrm{kW}/\mathrm{cm}^2$) employed, which enables SHG even by continuous-wave pumping, allows envisioning integrated and portable photonic applications. SHG wavelength tuning from $870$ to $920~\mathrm{nm}$ with stable output power as well as polarization control is also achieved by off-normal pump illumination. This versatile platform opens new opportunities for sensing, THz generation and detection, and ultrafast electro-optic modulation of nonlinear optical signals. Se vuoi, posso anche:

On-chip electrically reconfigurable octave-bandwidth optical amplification from visible to near-infrared

Authors: Guanyu Han, Wenjun Deng, Yu Wang, Ziyao Feng, Wei Wang, Meng Tian, Yu Liu, Souvik Biswas, Carlos A. Meriles, Andrea Alù, Qiushi Guo

Published: January 30, 2026

Achieving broadband on-chip optical amplification spanning the visible and near-infrared (NIR) can enable diverse quantum sensing, metrology, and classical communication applications within a single unified device. However, conventional semiconductor and ion-doped amplifiers suffer from limited gain bandwidths set by fixed energy levels, while optical parametric amplifiers (OPAs) operating continuously from the visible to the NIR have remained elusive due to dispersion-limited bandwidth and the high pump powers required in the visible or ultraviolet (UV). Here, we overcome these limitations by introducing an electrically reconfigurable OPA architecture on lithium niobate integrated photonics. By synergistically combining ultra-high effective $χ^{(2)}$ nonlinearity ($\sim$7,000\%/W-cm$^2$), high-order dispersion engineering, and local electro-thermal tuning of quasi-phase matching, our device achieves record gain spectral spanning more than an optical octave, from 770 to 1650 nm. This range covers key transitions of many photonic quantum systems and all telecommunication bands. Moreover, our approach eliminates the need for high-power, wavelength-tunable visible or UV pumps, delivering a peak on-chip gain of 23.67 dB with a single 1060 nm pump at 90 mW average on-chip power. This work opens new avenues for multi-functional, reconfigurable photonics unifying the visible and infrared regimes, with broad implications for quantum sensing and communications.

Leveraging configuration interaction singles for qualitative descriptions of ground and excited states: state-averaging, linear-response, and spin-projection

Authors: Takashi Tsuchimochi, Benjamin Mokhtar

Published: January 30, 2026

While configuration interaction singles (CIS) provides a computationally efficient description of excited states, it systematically overestimates excitation energies and performs poorly for strongly correlated systems, partially due to the lack of orbital relaxation and the strong ground-state bias of Hartree-Fock orbitals. To address these limitations, we present a unified variational framework that extends CIS by incorporating orbital optimization (state-specific and state-averaged), linear-response orbital relaxation via double-CIS schemes, and spin-symmetry breaking and restoration. In spin-projected state-averaged formulations, standard multistate parametrizations are no longer valid because the projection operator breaks the unitary invariance of orbital rotations and induces nonorthogonal couplings among states. By formulating a rigorous state-averaged objective in the projected subspace, we derive analytic gradients and Hessians and enable robust optimization using a trust-region augmented Hessian algorithm. Benchmark calculations show that spin projection alone significantly exacerbates the CIS overestimation in weakly correlated systems, whereas combining spin projection with state averaging or double-CI corrections substantially reduces errors, particularly for Rydberg excitations. We further demonstrate that state averaging and spin projection provide complementary and essential benefits in strongly correlated regimes, as illustrated by the bond dissociation of hydrogen fluoride.

Spontaneous four-wave mixing in a thin layer with second-order nonlinearity

Authors: Changjin Son, Maria Chekhova

Published: January 30, 2026

Pairs of entangled photons are crucial for photonic quantum technologies. The demand for integrability and multi-functionality suggests 'flat' platforms - ultrathin layers and metasurfaces - as sources of photon pairs. With the success in demonstrating spontaneous parametric down-conversion (SPDC) from such sources, an alternative process to generate photon pairs, spontaneous four-wave mixing (SFWM), also starts to attract interest. In materials with nonzero second-order nonlinear susceptibility $χ^{(2)}$, SFWM can generate photon pairs both directly, through the third-order nonlinear susceptibility $χ^{(3)}$, and in a cascaded way, through second harmonic generation (SHG) followed by SPDC. Usually, the cascaded process is more efficient. Here, we show that in a thin layer, direct SFWM dominates, because the wavevector mismatch for SFWM is much smaller than for SHG or SPDC. To demonstrate it, we implement the photon pair generation via SFWM in a second-order nonlinear material - a thin layer of lithium niobate (LN). The existence of both second- and third-order nonlinear processes offers broader opportunities for quantum state engineering.

Turning Insulators into Accelerators: Deciphering the Interfacial Conductivity Boost in ZrO2-Li2ZrCl6 Composites through Machine Learning Molecular Dynamics Simulations

Authors: Boyuan Xu, Chen Qian, Liyi Bai, Chenlu Wang, Feng Ding, Qisheng Wu

Published: January 30, 2026

Halide solid-state electrolytes have emerged as promising candidates for all-solid-state lithium batteries due to their high oxidative stability and deformability, yet their moderate ionic conductivity remains a bottleneck. While incorporating ionically insulating ZrO2 nanoparticles (Nat. Commun. 2023, 14, 2459) has been experimentally shown to enhance the ionic conductivity of Li2ZrCl6, the atomistic origin governing this interfacial phenomenon remains unclear. Here, we bridge the spatiotemporal gap in modeling complex heterostructures by developing an accurate machine-learned force fields based on neuroevolution potential, enabling large-scale molecular dynamics simulations of ZrO2/Li2ZrCl6 heterostructures. By systematically investigating four representative low-lattice-mismatch ZrO2/Li2ZrCl6 interfaces, we identify spontaneous interfacial amorphization driven by space-charge effects upon surface cleavage, trapping Li+ and leading to under-coordinated Li+ polyhedrons with pronounced geometric distortion. These distorted amorphous interfacial regions exhibit markedly enhanced Li+ hopping activity, significantly outperforming the bulk lattice, provided that local mobile Li+ inventory is not depleted by surface charge redistribution. This work establishes a computational framework for training validated machine-learned force fields for interfaces and provides mechanistic understandings of the interfacial conductivity boost in the insulator-conductor composites, guiding the rational design of electrolytes toward next-generation solid-state batteries.

Modeling of Non-linear Dynamics of Lithium-ion Batteries via Delay-Embedded Dynamic Mode Decomposition

Authors: Khalid Mahmud Labib, Shabbir Ahmed

Published: January 29, 2026

The complex electrochemical behavior of lithium-ion batteries results in non-linear dynamics and appropriate modeling of this non-linear dynamical system is of interest for better management and control. In this work, we proposed a family of dynamic mode decomposition (DMD)-based data-driven models that do not require detailed knowledge of the composition of the battery materials but can essentially capture the non-linear dynamics with higher computational efficiency. Only voltage and current data obtained from hybrid pulse power characterization (HPPC) tests were utilized to form the state space matrices and subsequently used for predicting the future terminal voltage at different state of charge (SoC) and aging levels. To construct the system model, 60\% of the data from a single HPPC test was utilized to generate time-delay embedded snapshots, with embedding dimension ranging from 40 to 2000. Among these, an embedding dimension of 1810 resulted in the least residual sum of squares (RSS) error of 3.86 for the dynamic mode decomposition with control (DMDc) model and 30 for the standard DMD model. For DMDc model, delay embeddings (ranging from 1 to 12) were also incorporated into the input current signals. For the input matrix, an embedding dimension of 6 resulted in a minimum RSS error of 1.74. Furthermore, the system matrices A and B, identified from the HPPC test when the cell is in its healthy state, were held fixed and used to simulate the system dynamics for aged batteries by updating only the control input. Despite the presence of nonlinear degradation effects in later cycles, the DMDc model effectively captured key inner dynamics such as voltage dips and transient responses for subsequent charge and discharge cycles.

Broadband Second Harmonic Generation using Fixed-Period Periodically Poled Lithium Niobate

Authors: Yongjoo Kim, Yijia Cai, Zhixin Liu

Published: January 29, 2026

Periodically poled lithium niobate (PPLN) is a widely used nonlinear optical device for second harmonic generation (SHG). Despite its wide adoption in commercial systems, its bandwidth for SHG is fundamentally limited by the quasi-phase matching condition. This can be overcome by aperiodic or chirped PPLN structures; however, such devices are typically custom-fabricated and not readily available commercially. In this study, we investigate an alternative approach to achieving broadband SHG by using a standard PPLN crystal containing multiple fixed poling periods. Broadband operation is realized by angle tuning the crystal relative to input beam in free-space. The effect of angle tuning is examined over a range of incident angles, and an 1.6x enhancement in SHG bandwidth is demonstrated. These results suggest a practical and efficient strategy for broadband SHG using standard PPLN devices.

Hybrid Barium Titanate Waveguide Designs For Efficient Nonlinear Frequency Conversion

Authors: Trevor G. Vrckovnik, D. Arslan, F. Eilenberger, Sebastian W. Schmitt

Published: January 29, 2026

Barium titanate (BaTiO$_3$) is emerging as a powerful integrated photonic material, combining strong $X^{(2)}$ and electro-optic nonlinearities with rapidly improving thin-film waveguide quality. Recent demonstrations of low-loss BaTiO$_3$ waveguides and high-Q resonators have established BaTiO$_3$-on-insulator as a promising platform for next-generation frequency-conversion and quantum photonic technologies. However, while BaTiO$_3$ electro-optic modulators are now well developed, nonlinear BaTiO$_3$ waveguide engineering remains comparatively immature. Techniques widely used in lithium niobate, such as periodic poling for quasi-phase-matching, are poorly suited to BaTiO$_3$ because epitaxial thin films exhibit high coercive fields, strong strain-clamping effects, multivariant domain structures, and slow, complex switching dynamics. These factors make accurate periodic poling challenging and hinder the development of efficient $X^{(2)}$ frequency converters. Here, we introduce a fabrication-robust alternative based on linear-nonlinear hybrid waveguides, where TiO$_2$ is selectively incorporated into BaTiO$_3$ ridge waveguides to enhance nonlinear mode overlap while relying solely on modal phase-matching. Using coupled-mode-theory simulations, we identify phase-matched geometries and show that the hybrid design achieves a 2.75x increase in normalized second harmonic generation efficiency over monolithic BaTiO$_3$ waveguides. The uniform, lithographically defined cross-section makes the approach highly scalable. These results position hybrid BaTiO$_3$-TiO$_2$ waveguides as a practical route to CMOS-compatible, high-efficiency $X^{(2)}$ devices for integrated quantum photonics.

Screening 39 billion protostructures for materials discovery

Authors: Abhijith S Parackal, Florian Trybel, Felix Andreas Faber, Rickard Armiento

Published: January 29, 2026

Large-scale computational surveys are increasingly used to map the landscape of stable crystalline materials. We report a high-throughput energy screening of inorganic crystals that enumerates binary and ternary compositions up to a specified unit-cell complexity, yielding 39 billion protostructures. Candidates predicted to lie on or near the convex hull are retained, and their degrees of freedom are explored via Latin hypercube sampling followed by relaxation with machine-learned interatomic potentials. The resulting dataset contains 81 million locally relaxed crystal structures spanning 4495 ternary phase diagrams constructed from elements ranging from lithium to bromine and contains 88,498 crystal prototypes not present in existing crystal-structure databases. The methods are validated both for three well-explored materials systems, Zr-Zn-N, Ti-Zn-N, and Hf-Zn-N, and by comparing with known data for structures resulting from the larger screening. The work provides a systematic map of low-energy compositional-structural space and a large, structured pool of candidates for downstream property evaluation and materials design.