Design of a 60.8 K superconducting hydride LiMgZr2H12 at ambient pressure via Lithium doping

Authors: Qun Wei, Xinyu Wang, Jing Luo, Meiguang Zhang, Bing Wei

Published: February 3, 2026

High-pressure hydrogen-rich compounds have long been regarded as promising room-temperature superconductor candidates; however, their practical applications are limited by their reliance on extreme compression. This study explores hydrogen-rich superconductors that may be stable at ambient pressures. Inspired by recent investigations of the MgZrH2n family, the LiMgZr2H12 structure with a Pmmm symmetry was constructed, and its thermodynamic, mechanical, and dynamical stability were evaluated using first-principles calculations. Electron-phonon coupling (EPC) analysis suggests that LiMgZr2H12 reaches a superconducting critical temperature (Tc) of 60.8 K at ambient pressure. Compared with MgZrH6, Li doping significantly increases the contribution of hydrogen atoms to the electron density of states near the Fermi level (EF) and enhances the EPC constant of the LiMgZr2H12 structure. LiMgZr2H12 exhibits a superconducting figure of merit of 1.56, which is significantly greater than that of MgZrH6, demonstrating its outstanding potential for practical applications. This work guides ambient-pressure design of high-Tc hydrides.

Loss mechanisms of microwave frequency acoustic waves in thin film lithium niobate

Authors: Qixuan Lin, Yue Yu, Alejandra Guedeja-Marrón, Catalina Scolnic, Haoqin Deng, Shucheng Fang, Yibing Zhou, Bingzhao Li, Juan Carlos Idrobo, Mo Li

Published: February 2, 2026

Thin-film lithium niobate (TFLN) has emerged as a versatile platform for phononic and photonic devices with applications ranging from classical signal processing to quantum technologies. However, acoustic loss fundamentally limits the performance of acoustic devices on TFLN platforms, yet its physical origin remains insufficiently understood. Here, we systematically investigate acoustic propagation loss in various TFLN platforms, including lithium niobate on insulator (LNOI), lithium niobate on sapphire (LNOS), suspended LN thin films, and bulk LN at gigahertz frequencies over temperatures ranging from 4 K to above room temperature. Using a delay-line method, we extract frequency- and temperature-dependent losses for Rayleigh, shear-horizontal, and Lamb modes. We observe an anomalous non-monotonic temperature dependence in LNOI that closely resembles acoustic loss in amorphous materials, indicating a dominant loss channel associated with the buried oxide layer at low temperatures. At elevated temperatures, the loss converges to the Akhiezer damping governed by phonon-phonon interactions. High-resolution electron microscopy further reveals nanoscale interfacial crystal impurities that may contribute to the increased acoustic loss in TFLN platforms relative to bulk LN. These results elucidate the acoustic loss mechanisms in TFLN and provide guidelines for designing low-loss acoustic devices.

A bulk acoustic resonator with vertical electrodes for wideband filters

Authors: Silvan Stettler, Edgar Navarro-Gesse, Carlos Collado, Jordi Mateu, Luis G. Villanueva

Published: February 2, 2026

Radiofrequency (RF) front ends for current and next generation (5G and 6G) wireless communication demand acoustic filters that combine wide bandwidth, high power capability, and thermal stability. Existing surface and bulk acoustic wave (SAW and BAW) technologies face inherent trade-offs between electromechanical coupling, lithographic tunability, and robustness. Here we introduce the bulk acoustic resonator with vertical electrodes (VBAR), a device that combines the advantages of suspended and solidly mounted resonators. VBARs use lithium niobate (LiNbO3) ridges with sidewall electrodes to excite a shear-horizontal bulk acoustic resonance, providing frequency control through lithography in a configuration that is mechanically anchored to the substrate. Fabricated VBARs exhibit electromechanical coupling coefficients exceeding 30% in the 2-4 GHz range, enabling ladder filters with fractional bandwidths of nearly 20%. While further optimization is necessary to minimize losses, the VBAR concept offers an alternative route toward wideband and robust RF filters for next-generation wireless systems.

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.