arXiv subjects

Mai Ye

Publications and source records attributed to Mai Ye.

16 recordsLinked to original sources

arXiv2025

Strain-induced structural change and nearly-commensurate diffuse scattering in the model high-temperature superconductor HgBa$_2$CuO$_{4+\delta}$

We investigate the strain response of underdoped HgBa$_2$CuO$_{4+\delta}$ (Hg1201), by synchrotron X-ray diffraction and corresponding simulations of thermal diffuse scattering. The compression in the crystallographic $a$ direction leads to relatively small expansion in the $b$ and $c$ directions, with Poisson ratios $\nu_{ba}$=0.16 and $\nu_{ca}$=0.11, respectively. However, the Cu-O distance in the $c$ direction exhibits a notable 0.9% increase at 1.1% $a$-axis compression. We further find strain-induced diffuse scattering which corresponds to a new type of two-dimensional charge correlation. Interestingly, this signal is insensitive to the onset of superconductivity and instead corresponds to a short-range, nearly commensurate modulation with a wave vector close to (0.5, 0, 0) and a correlation length of approximately four unit cells. It closely resembles the charge order theoretically predicted in the phase diagram of the spin-liquid model with resonating valence bonds on a square lattice.

cond-mat.supr-con↗

arXiv2025

Unveiling Excitonic Insulator Signatures in Ta$_\mathrm{2}$NiSe$_\mathrm{5}$

The high-temperature phase of Ta$_\mathrm{2}$NiSe$_\mathrm{5}$, a near-zero-gap semiconductor ($E_G$ = 0), is a promising candidate for an excitonic insulator. Given the dome-like evolution expected for an excitonic insulator around $E_G$, we investigated Ta$_\mathrm{2}$NiSe$_\mathrm{5}$, the more semi-metallic Ta$_\mathrm{2}$(Ni,Co)Se$_\mathrm{5}$, and semiconducting Ta$_\mathrm{2}$NiS$_\mathrm{5}$ using high-resolution single-crystal x-ray diffraction and near-edge x-ray absorption fine structure (NEXAFS). Our findings reveal a second-order structural phase transition from orthorhombic (space group: $Cmcm$) to monoclinic (space group: $C2/c$) in Ta$_\mathrm{2}$NiSe$_\mathrm{5}$ and Ta$_\mathrm{2}$(Ni,Co)Se$_\mathrm{5}$, but no transition in Ta$_\mathrm{2}$NiS$_\mathrm{5}$ down to 2 K. This transition breaks two mirror symmetries, enabling and enhancing the hybridization of Ta, Ni, and Se atoms, shortening bond lengths, and strengthening orbital interactions. NEXAFS data confirm stronger hybridization, significant changes in excitonic binding energies, and a key alteration in orbital character, suggesting an excitonic insulating state in Ta$_\mathrm{2}$NiSe$_\mathrm{5}$ and emphasizing the crucial electronic role of orbitals in the formation of the excitonic insulator state.

cond-mat.mtrl-sci↗

arXiv2025

Sloshing suppression with a controlled elastic baffle via deep reinforcement learning and SPH simulation

This study employed smoothed particle hydrodynamics (SPH) as the numerical environment, integrated with deep reinforcement learning (DRL) real-time control algorithms to optimize the sloshing suppression in a tank with a centrally positioned vertical elastic baffle. Compared to rigid baffle movement and active strain control methods, the active-controlled movable elastic baffle, which remains undeformed at its base, achieved the best performance with an 81.63% reduction in mean free surface amplitude. A cosine-based expert policy derived from DRL data is also extracted, resulting in a comparable 76.86% reduction in a three-dimensional (3D) numerical simulation. Energy analyses showed that elastic baffle motion effectively decreased system energy by performing negative work on the fluid, reducing kinetic and potential energy. The DRL-based and expert policies also demonstrated robust performance across varying excitation frequencies and water depths. Specifically, rigid baffles proved more effective at frequencies below the system's first natural frequency, while elastic baffles exhibited superior performance at higher frequencies. Changes in water depth minimally affected the effectiveness of control policies, though they significantly influenced elastic baffle deformation behavior. Overall, the sloshing suppression efficiency consistently ranged between 70% and 80%, confirming DRL-informed control methods' versatility and effectiveness under diverse operating conditions.

physics.flu-dyn↗

arXiv2024

Adaptive optimization of wave energy conversion in oscillatory wave surge converters via SPH simulation and deep reinforcement learning

The nonlinear damping characteristics of the oscillating wave surge converter (OWSC) significantly impact the performance of the power take-off system. This study presents a framework by integrating deep reinforcement learning (DRL) with numerical simulations of OWSC to identify optimal adaptive damping policy under varying wave conditions, thereby enhancing wave energy harvesting efficiency. Firstly, the open-source multiphysics libraries SPHinXsys and Simbody are employed to establish the numerical environment for wave interaction with OWSCs. Subsequently, a comparative analysis of three DRL algorithms-proximal policy optimization (PPO), twin delayed deep deterministic policy gradient (TD3), and soft actor-critic (SAC)-is conducted using the two-dimensional (2D) numerical study of OWSC interacting with regular waves. The results reveal that artificial neural networks capture the nonlinear characteristics of wave-structure interactions and provide efficient PTO policies. Notably, the SAC algorithm demonstrates exceptional robustness and accuracy, achieving a 10.61% improvement in wave energy harvesting. Furthermore, policies trained in a 2D environment are successfully applied to the three-dimensional (3D) study, with an improvement of 22.54% in energy harvesting. Additionally, the study shows that energy harvesting is improved by 6.42% for complex irregular waves. However, for the complex dual OWSC system, optimizing the damping characteristics alone is insufficient to enhance energy harvesting.

cs.CE↗

arXiv2024

DRLinSPH: An open-source platform using deep reinforcement learning and SPHinXsys for fluid-structure-interaction problems

Fluid-structure interaction (FSI) problems are characterized by strong nonlinearities arising from complex interactions between fluids and structures. These pose significant challenges for traditional control strategies in optimizing structural motion, often leading to suboptimal performance. In contrast, deep reinforcement learning (DRL), through agent interactions within numerical simulation environments and the approximation of control policies using deep neural networks (DNNs), has shown considerable promise in addressing high-dimensional FSI problems. Additionally, smoothed particle hydrodynamics (SPH) offers a flexible and efficient computational approach for modeling large deformations, fractures, and complex interface movements inherent in FSI, outperforming traditional grid-based methods. In this work, we present DRLinSPH, an open-source Python platform that integrates the SPH-based numerical environment provided by the open-source software SPHinXsys with the mature DRL platform Tianshou to enable parallel training for FSI problems. DRLinSPH has been successfully applied to four FSI scenarios: sloshing suppression using rigid and elastic baffles, optimization of wave energy capture through an oscillating wave surge converter (OWSC), and muscle-driven fish swimming in vortices. The results demonstrate the platform's accuracy, stability, and scalability, highlighting its potential to advance industrial solutions for complex FSI challenges.

cs.CE↗

arXiv2024

Anomalous phonon Grüneisen parameters in semiconductor Ta$_2$NiS$_5$

Strain tuning is a powerful experimental method in probing correlated electron systems. Here we study the strain response of the lattice dynamics and electronic structure in semiconductor Ta$_2$NiS$_5$ by polarization-resolved Raman spectroscopy. We observe an increase of the size of the direct semiconducting band gap. Although the majority of the optical phonons show only marginal dependence to applied strain, the frequency of the two B$_{2g}$ phonon modes, which have quadrupolar symmetry and already anomalously soften on cooling under zero strain, increases significantly with tensile strain along the $a$ axis. The corresponding Grüneisen parameters are unusually large in magnitude and negative in sign. These effects are well captured by first-principles density functional theory calculations and indicate close proximity of Ta$_2$NiS$_5$ to a structural instability, similar to that encountered in excitonic insulator candidate Ta$_2$NiSe$_5$.

cond-mat.str-el↗

arXiv2023

Strong electron-phonon coupling and enhanced phonon Grüneisen parameters in valence-fluctuating metal EuPd$_2$Si$_2$

We study the valence crossover and strong electron-phonon coupling of EuPd$_2$Si$_2$ by polarization-resolved Raman spectroscopy. The fully-symmetric phonon mode shows strongly asymmetric lineshape at low temperature, indicating Fano-type interaction between this mode and a continuum of electron-hole excitations. Moreover, the frequency and linewidth of the phonon modes exhibit anomalies across the valence-crossover temperature, suggesting the coupling between valence fluctuations and lattice vibration. In particular, two phonon modes show significantly enhanced Grüneisen parameter, suggesting proximity to a critical elasticity regime. The relative contribution of the structural change and valence change to the phonon anomalies is evaluated by density functional theory calculations.

cond-mat.str-el↗

arXiv2022

Anisotropy of Kondo-lattice coherence in momentum space for CeCoIn5

We study the electronic and phononic excitations of heavy-fermion metal CeCoIn$_5$ by polarization-resolved Raman spectroscopy to explore the Kondo-lattice coherence. Below the coherence temperature T*\,=\,45\,K, the continuum of electronic excitations in the XY scattering geometry is suppressed at frequencies below 50\,cm$^{-1}$, whereas the low-frequency continuum in the X'Y' geometry exhibits no change across T*. We relate the suppression to the reduced electron-electron scattering rate resulting from the coherence effect. The presence of suppression in the XY geometry and absence of it in the X'Y' geometry implies that the $α$ and $β$ bands become coherent below T*, whereas the $γ$ band remains largely incoherent down to 10\,K. Moreover, two optical phonon modes exhibit anomalies in their temperature dependence of the frequency and linewidth below T*, which results from developing coherent spectral weight near the Fermi level and reduced electron-phonon scattering rate. Our results further support the key role of anisotropic hybridization in CeCoIn$_5$.

cond-mat.str-el↗

arXiv2021

Failed excitonic quantum phase transition in Ta$_2$Ni(Se$_{1-x}$S$_x$)$_5$

We study the electronic phase diagram of the excitonic insulator candidates Ta$_2$Ni(Se$_{1-x}$S$_x$)$_5$ [x=0, ... ,1] using Raman spectroscopy. Critical excitonic fluctuations are observed, that diminish with $x$ and ultimately shift to high energies, characteristic of a quantum phase transition. Nonetheless, a symmetry-breaking transition at finite temperatures is detected for all $x$, exposing a cooperating lattice instability that takes over for large $x$. Our study reveals a failed excitonic quantum phase transition, masked by a preemptive structural order.

cond-mat.str-el↗

arXiv2021

Lattice dynamics of the excitonic insulator Ta$_2$Ni(Se$_{1-x}$S$_x$)$_5$

Recently, we employed electronic polarization-resolved Raman spectroscopy to reveal the strongly correlated excitonic insulator (EI) nature of Ta2NiSe5, Volkov et al. [arXiv:2007.07344], and also showed that for Ta$_2$Ni(Se$_{1-x}$S$_x$)$_5$ alloys the critical excitonic fluctuations diminish with sulfur concentration x exposing a cooperating lattice instability that takes over for large x, Volkov et al. [arXiv:2104.07032]. Here we focus on the lattice dynamics of this EI family. We identify all Raman-active optical phonons of fully symmetric and ac-quadrupole-like symmetries and study their evolution with temperature and sulfur concentration. We demonstrate the change of selection rules at temperatures below the orthorhombic-to-monoclinic transition at Tc(x) that is related to the EI phase. We find that Tc(x) decrease monotonically from 328 K for Ta2NiSe5 to 120 K for Ta2NiS5 and that the magnitude of lattice distortion also decreases with the sulfur concentration x. For x < 0.7, the two lowest-frequency B2g phonon modes show strongly asymmetric lineshapes at high temperatures due to Fano interference with the broad excitonic continuum present in a semimetallic state. Within the framework of extended Fano model, we develop a quantitative description of the interacting exciton-phonon excitation lineshape, enabling us to derive the intrinsic phonon parameters and determine the exciton-phonon interaction strength, that affects the transition temperature Tc(x). We also observe signatures of the acoustic mode scattered assisted by the structural domain walls formed below Tc. Based on our results, we additionally present a consistent interpretation of the origin of oscillations observed in time-resolved pump-probe experiments.

cond-mat.str-el↗

arXiv2021

Critical charge fluctuations and emergent coherence in a strongly correlated excitonic insulator

Excitonic insulator is a coherent electronic phase that results from the formation of a macroscopic population of bound particle-hole pairs - excitons. With only a few candidate materials known, the collective excitonic behavior is challenging to observe, being obscured by crystalline lattice effects. Here we use polarization-resolved Raman spectroscopy to reveal the quadrupolar excitonic mode in the candidate zero-gap semiconductor Ta$_2$NiSe$_5$ disentangling it from the lattice phonons. The excitonic mode pronouncedly softens close to the phase transition, showing its electronic character, while its coupling to non-critical lattice modes is shown to enhance the transition temperature. On cooling, we observe the gradual emergence of coherent superpositions of band states at the correlated insulator gap edge, with strong departures from mean-field theory predictions. Our results demonstrate the realization of a strongly correlated excitonic state in an equilibrium bulk material.

cond-mat.str-el↗

arXiv2021

Crystal-field excitations and vibronic modes in triangular-lattice spin-liquid candidate TbInO$_3$

We study the ground state properties, the electronic excitations and lattice dynamics in spin-liquid candidate TbInO$_3$. By employing polarization resolved Raman spectroscopy we define the inter- and intra-multiplet excitations, and establish the low-energy crystal-field (CF) level scheme. In particular, we demonstrate that the ground state of the Tb$^{3+}$ ions is a non-Kramers doublet, and relate the enhanced linewidth of the CF modes to the magnetic fluctuations near the spin-liquid ground state. We identify all 38 allowed Raman-active phonon modes at low temperature. Moreover, we observe hybrid vibronic excitations involving coupled CF and low-lying phonon modes, suggesting strong spin-lattice dynamics. We develop a model for vibronic states and obtain the parameters of the bare responses and coupling strength. We further demonstrate that the obtained CF level scheme is consistent with specific heat data.

cond-mat.str-el↗

arXiv2020

Random singlet state in Ba$_5$CuIr$_3$O$_{12}$ single crystals

We study the thermodynamic and high-magnetic-field properties of the magnetic insulator Ba$_5$CuIr$_3$O$_{12}$, which shows no magnetic order down to 2 K consistent with a spin liquid ground state. While the temperature dependence of the magnetic susceptibility and the specific heat shows only weak antiferromagnetic correlations, we find that the magnetization does not saturate up to a field of 59 Tesla, leading to an apparent contradiction. We demonstrate that the paradox can be resolved, and all of the experimental data can be consistently described within the framework of random singlet states. We demonstrate a generic procedure to derive the exchange coupling distribution $P(J)$ from the magnetization measurements and use it to show that the experimental data is consistent with the power-law form $P(J)\sim J^{-α}$ with $α\approx 0.6 $. Thus, we reveal that high-magnetic-field measurements can be essential to discern quantum spin liquid candidates from disorder dominated states that do not exhibit long-range order.

cond-mat.str-el↗

arXiv2019

Raman spectroscopy of $f$-electron metals: an example of CeB$_{6}$

We performed an optical spectroscopy study of electronic and magnetic excitations for a rare-earth system with a single electron quasi-localized in the f-shell on an ion at high-symmetry crystallographic site in application to CeB$_{6}$ heavy-fermion metal. We carried out group-theoretical classification of the electronic crystal field (CF) transitions and assessed their coupling to light cross-sections for polarization resolved Raman scattering processes. We discuss applicability of symmetrized Raman susceptibility to studies of exotic charge and spin high multiplet ordering phases in f-electron systems. We study temperature effects on intra- and inter-multiplet CF transitions and also on the coupling between the CF excitations with the lattice vibrations. We acquired temperature dependence of the low-frequency polarization resolved Raman response and obtained the static Raman susceptibility for all Raman-allowed symmetry channels: A$_{1g}$, E$_{g}$, T$_{1g}$, and T$_{2g}$ of the cubic O$_{h}$ point group. We demonstrate that for CeB$_{6}$ system only T$_{1g}$-symmetry static Raman susceptibility shows an anomalous temperature dependence which is consistent with the magnetic susceptibility data measured by other techniques. This anomalous behavior in the T$_{1g}$-channel signifies the presence of long wavelength magnetic fluctuations, while the lack of susceptibility enhancement for all the remaining symmetry channels indicates that long wavelength charge quadrupole fluctuations at low-temperature are weak.

cond-mat.str-el↗

arXiv2019

Lattice dynamics, crystal-field excitations and quadrupolar fluctuations of YbRu$_2$Ge$_2$

We report Raman-scattering results of YbRu$_2$Ge$_2$ single crystals to explore the phononic and crystal-field (CF) excitations. This heavy-fermion metal is suggested to enter a ferroquadrupolar (FQ) phase below T$_0$=10 K. The tetragonal CF potential splits the Yb$^{3+}$ $^2F_{7/2}$ ground multiplet into two $Γ_6$ and two $Γ_7$ Kramers doublets. We establish the following CF level scheme of the ground multiplet: a $Γ_6$ ground state, with the two $Γ_7$ states at 2 cm$^{-1}$, 95 cm$^{-1}$ and the other $Γ_6$ state at 239 cm$^{-1}$. The $\sim$2 cm$^{-1}$ separation between the CF ground and first excited states is in agreement with the previously proposed quasi-quartet CF ground state. The intensity of the lowest-energy CF transition remarkably increases on cooling, indicating a coupling of this CF excitation to the quadrupolar fluctuations above T$_0$. From symmetry analysis, we suggest that the FQ order has B$_{1g}$ symmetry. Moreover, temperature-dependent study of four Raman-active phonon modes shows that the intensities of the A$_{1g}$ and one E$_{g}$ modes increase significantly on cooling, which is explained by a near-resonant coupling between these two phonon modes and CF transitions.

cond-mat.str-el↗

arXiv2018

Covalency-driven collapse of strong spin-orbit coupling in face-sharing iridium octahedra

We report $\textit{ab-initio}$ density functional theory calculation and Raman scattering results to explore the electronic structure of Ba$_5$CuIr$_3$O$_{12}$ single crystals. This insulating iridate, consisting of face-sharing IrO$_6$ octahedra forming quasi-one-dimensional chains, cannot be described by the local $j_{\rm eff}$=1/2 moment picture commonly adopted for discussing electronic and magnetic properties of iridate compounds with IrO$_6$ octahedra. The shorter Ir-Ir distance in the face-sharing geometry, compared to corner- or edge-sharing structures, leads to strong covalency between neighboring Ir. Then this strong covalency results in the formation of molecular orbitals (MO) at each Ir trimers as the low-energy electronic degree of freedom. The theoretically predicted three-peak structure in the joint density of states, a distinct indication of deviation from the $j_{\rm eff}$=1/2 picture, is verified by observing the three-peak structure in the electronic excitation spectrum by Raman scattering.

cond-mat.str-el↗