Lee–Yang theory clearly demonstrates where the phase transition of many-body systems occurs and the asymptotic behavior near the phase transition using the partition function under complex parameters. The complex parameters make the direct investigation of Lee–Yang theory in practical systems challenging. Here we construct a non-Hermitian quantum system that can correspond to the one-dimensional Ising model with imaginary parameters through the equality of partition functions. By adjusting the non-Hermitian parameter, we successfully obtain the partition function under different imaginary magnetic fields and observe the Lee–Yang zeros. We also observe the critical behavior of free energy in vicinity of Lee–Yang zero that is consistent with theoretical prediction. Our work provides a protocol to study Lee–Yang zeros of the one-dimensional Ising model using a single-qubit non-Hermitian system.

Research of Maxwell demon and quantum entanglement is important because of its foundational significance in physics and its potential applications in quantum information. Previous studies on the Maxwell demon have primarily focused on thermodynamics, taking into account quantum correlations. Here we consider from another perspective and ask whether quantum non-locality correlations can be simulated by performing work. The Maxwell demon-assisted Einstein–Podolsky–Rosen (EPR) steering is thus proposed, which implies a new type of loophole. The application of Landauer's erasure principle suggests that the only way to close this loophole during a steering task is by continuously monitoring the heat fluctuation of the local environment by the participant. We construct a quantum circuit model of Maxwell demon-assisted EPR steering, which can be demonstrated by current programmable quantum processors, such as superconducting quantum computers. Based on this quantum circuit model, we obtain a quantitative formula describing the relationship between energy dissipation due to the work of the demon and quantum non-locality correlation. The result is of great physical interest because it provides a new way to explore and understand the relationship between quantum non-locality, information, and thermodynamics.

Ethylene, the simplest model of a carbon-carbon double bond system, is pivotal in numerous chemical and biological processes. By employing intense infrared laser pump-probe techniques alongside coincidence measurements, we investigate the ultrafast non-adiabatic dynamics involved in the breakage of carbon-carbon double bonds and hydrogen elimination in dissociation of ethylene. Our study entails analyzing the dynamic kinetic energy release spectra to assess three bond-breaking scenarios, movements of nuclei, and structural changes around the carbon atoms. This allows us to evaluate the relaxation dynamics and characteristics of various dissociative states. Notably, we observe a significant rise in the yield of fragments resulting from C–H bond breakage with the delay time extended, suggesting non-adiabatic coupling through conical intersections from C–C bond breakage as a probable cause.

We report a linear-scaling random Green's function (rGF) method for large-scale electronic structure calculation. In this method, the rGF is defined on a set of random states and is efficiently calculated by projecting onto Krylov subspace. With the rGF method, the Fermi–Dirac operator can be obtained directly, avoiding the polynomial expansion to Fermi–Dirac function. To demonstrate the applicability, we implement the rGF method with the density-functional tight-binding method. It is shown that the Krylov subspace can maintain at small size for materials with different gaps at zero temperature, including H$_{2}$O and Si clusters. We find with a simple deflation technique that the rGF self-consistent calculation of H$_{2}$O clusters at $T=0$ K can reach an error of $\sim$ $1$ meV per H$_{2}$O molecule in total energy, compared to deterministic calculations. The rGF method provides an effective stochastic method for large-scale electronic structure simulation.

Fano resonance is a ubiquitous phenomenon, and it is commonly interpreted as a two-channel interference of the discrete and continuous channels. The present work investigates the Fano profile from a perspective of the temporal evolution of the wave function. By exciting the atom with a $\delta$ pulse and calculating the evolution of the wave function, the Fano formula is deduced. The results clearly show that the Fano resonance is of a three-channel interference, which is different from the traditional understanding. The three channels are revealed as the ground-continuum, ground-discrete-continuum, and a previously unmentioned third channel, i.e., ground-continuum-discrete-continuum. The present three-channel interpretation can be easily generalized to other physical systems, contributing to a deeper understanding of the Fano profile.

An all-fiber polarization maintaining high-power laser system operating at 1.7 µm based on the Raman-induced soliton self-frequency shifting effect is demonstrated. The entirely fiberized system is built by erbium-doped oscillator and two-stage amplifiers with polarization maintaining commercial silica fibers and devices, which can provide robust and stable soliton generation. High-power soliton laser with the average power of 0.28 W, the repetition rate of 42.7 MHz, and pulse duration of 515 fs is generated directly from the main amplifier. Our experiment provides a feasible method for high-power all-fiber polarization maintaining femtosecond laser generation working at 1.7 µm.

Searching and designing new materials play crucial roles in the development of energy storage devices. In today's world where machine learning technology has shown strong predictive ability for various tasks, the combination with machine learning technology will accelerate the process of material development. Herein, we develop ESM Cloud Toolkit for energy storage materials based on MatElab platform, which is designed as a convenient and accurate way to automatically record and save the raw data of scientific research. The ESM Cloud Toolkit includes multiple features such as automatic archiving of computational simulation data, post-processing of experimental data, and machine learning applications. It makes the entire research workflow more automated and reduces the entry barrier for the application of machine learning technology in the domain of energy storage materials. It integrates data archive, traceability, processing, and reutilization, and allows individual research data to play a greater role in the era of AI.

Quasi-coherent micro-instabilities is one of the key topics of magnetic confinement fusion. This work focuses on the quasi-coherent spectra of ion temperature gradient (ITG) and trapped-electron-mode instabilities using newly developed far-forward collective scattering measurements within ohmic plasmas in the J-TEXT tokamak. The ITG mode is characterized by frequencies ranging from 30 to 100 kHz and wavenumbers ($k_{\theta}\rho_{\rm s})$ less than 0.3. Beyond a critical plasma density threshold, the ITG mode undergoes a bifurcation, which is marked by a reduction in frequency and an enhancement in amplitude. Concurrently, enhancements in ion energy loss and degradation in confinement are observed. This ground-breaking discovery represents the first instance of direct experimental evidence that establishes a clear link between ITG instability and ion thermal transport.

Transmutation is an efficient approach for material design. For example, ternary compound CuGaSe$_{2}$ in chalcopyrite structure is a promising material for novel optoelectronic and thermoelectric device applications. It can be considered as formed from the binary host compound ZnSe in zinc-blende structure by cation transmutation (i.e., replacing two Zn atoms by one Cu and one Ga). While cation-transmutated materials are common, anion-transmutated ternary materials are rare, for example, Zn$_{2}$AsBr (i.e., replacing two Se atoms by one As and one Br) is not reported. The physical origin for this puzzling disparity is unclear. In this work, we employ first-principles calculations to address this issue, and find that the distinct differences in stability between cation-transmutated (mix-cation) and anion-transmutated (mix-anion) compounds originate from their different trends of ionic radii as functions of their ionic state, i.e., for cations, the radius decreases with the increasing ionic state, whereas for anions, the radius increases with the increasing absolute ionic state. Therefore, for mix-cation compounds, the strain energy and Coulomb energy can be simultaneously optimized to make these materials stable. In contrast, for mix-anion systems, minimization of Coulomb energy will increase the strain energy, thus the system becomes unstable or less stable. Thus, the trend of decreasing strain energy and Coulomb energy is consistent in mix-cation compounds, while it is opposite in mix-anion compounds. Furthermore, the study suggests that the stability strategy for mix-anion compounds can be controlled by the ratio of ionic radii $r_{3}/r_{1}$, with a smaller ratio indicating greater stability. Our work, thus, elucidates the intrinsic stability trend of transmutated materials and provides guidelines for the design of novel ternary materials for various device applications.

As a sister compound of PbTe, SnTe possesses the environmentally friendly elements. However, the pristine SnTe compounds suffer from the high carrier concentration, the large valence band offset between the $L$ and $\varSigma $ positions and high thermal conductivity. Using high-pressure and high-temperature technology, we synthesized the pristine SnTe samples at different pressures and systemically investigated their thermoelectric properties. High pressure induces rich microstructures, including the high-density dislocations and lattice distortions, which serve as the strong phonon scattering centers, thereby reducing the lattice thermal conductivity. For the electrical properties, pressure reduces the harmful high carrier concentration, due to the depression of Sn vacancies. Moreover, pressure induces the valence band convergence, reducing the energy separation between the $L$ and $\varSigma $ positions. The band convergence and suppressed carrier concentration increase the Seebeck coefficient. Thus, the power factors of pressure-sintered compounds do not deteriorate significantly under the condition of decreasing electrical conductivity. Ultimately, for a pristine SnTe compound synthesized at 5 GPa, a higher $ZT$ value of 0.51 is achieved at 750 K, representing a 140% improvement compared to the value of 0.21 obtained using SPS. Therefore, the high-pressure and high-temperature technology is demonstrated as an effectively approach to optimize thermoelectric performance.

Recently, giant intrinsic anomalous Hall effect (AHE) has been observed in the materials with kagome lattice. Here, we systematically investigate the influence of high pressure on the AHE in the ferromagnet LiMn$_{6}$Sn$_{6}$ with clean Mn kagome lattice. Our in situ high-pressure Raman spectroscopy indicates that the crystal structure of LiMn$_{6}$Sn$_{6}$ maintains a hexagonal phase under high pressures up to 8.51 GPa. The anomalous Hall conductivity (AHC) $\sigma_{xy}^{\rm A}$ remains around 150 $\Omega^{{-1}}\cdot$cm$^{{-1}}$, dominated by the intrinsic mechanism. Combined with theoretical calculations, our results indicate that the stable AHE under pressure in LiMn$_{6}$Sn$_{6}$ originates from the robust electronic and magnetic structure.

Quantum anomalous Hall (QAH) insulators have highly potential applications in spintronic device. However, available candidates with tunable Chern numbers and high working temperature are quite rare. Here, we predict a 1T-PrN$_2$ monolayer as a stable QAH insulator with high magnetic transition temperature of above 600 K and tunable high Chern numbers of $C = \pm3$ from first-principles calculations. Without spin-orbit coupling (SOC), the 1T-PrN$_2$ monolayer is predicted to be a p-state Dirac half metal with high Fermi velocity. Rich topological phases depending on magnetization directions can be found when the SOC is considered. The QAH effect with periodical changes of Chern number ($\pm1$) can be produced when the magnetic moment breaks all twofold rotational symmetries in the $xy$ plane. The critical state can be identified as Weyl half semimetals. When the magnetization direction is parallel to the $z$-axis, the system exhibits high Chern number QAH effect with $C = \pm3$. Our work provides a new material for exploring novel QAH effect and developing high-performance topological devices.

Based on first-principles calculations, we systematically study the stacking energy and interlayer magnetic interaction of the heterobilayer composed of CrI$_3$ and CrSe$_2$ monolayers. It is found that the stacking order plays a crucial role in the interlayer magnetic coupling. Among all possible stacking structures, the AA-stacking is the most stable heterostructure, exhibiting interlayer antiferromagnetic interactions. Interestingly, the interlayer magnetic interaction can be effectively tuned by biaxial strain. A 4.3% compressive strain would result in a ferromagnetic interlayer interaction in all stacking orders. These results reveal the magnetic properties of CrI$_3$/CrSe$_2$ heterostructure, which is expected to be applied to spintronic devices.

Understanding the doping evolution from a Mott insulator to a superconductor probably holds the key to resolve the mystery of unconventional superconductivity in copper oxides. To elucidate the evolution of the electronic state starting from the Mott insulator, we dose the surface of the parent phase Ca$_{2}$CuO$_{2}$Cl$_{2}$ by depositing Rb atoms, which are supposed to donate electrons to the CuO$_{2}$ planes underneath. We successfully achieved the Rb sub-monolayer thin films in forming the square lattice. The scanning tunneling microscopy or spectroscopy measurements on the surface show that the Fermi energy is pinned within the Mott gap but close to the edge of the charge transfer band. In addition, an in-gap state appears at the bottom of the upper Hubbard band (UHB), and the Mott gap will be significantly diminished. Combined with the Cl defect and the Rb adatom/cluster results, the electron doping is likely to increase the spectra weight of the UHB for the double occupancy. Our results provide information to understand the electron doping to the parent compound of cuprates.

The recent discovery of possible high temperature superconductivity in single crystals of La$_3$Ni$_2$O$_7$ under pressure renews the interest in research on nickelates. The density functional theory calculations reveal that both $d_{z^2}$ and $d_{x^2-y^2}$ orbitals are active, which suggests a minimal two-orbital model to capture the low-energy physics of this system. In this work, we study a bilayer two-orbital $t$–$J$ model within multiband Gutzwiller approximation, and discuss the magnetism as well as the superconductivity over a wide range of the hole doping. Owing to the inter-orbital super-exchange process between $d_{z^2}$ and $d_{x^2-y^2}$ orbitals, the induced ferromagnetic coupling within layers competes with the conventional antiferromagnetic coupling, and leads to complicated hole doping dependence for the magnetic properties in the system. With increasing hole doping, the system transfers to A-type antiferromagnetic state from the starting G-type antiferromagnetic (G-AFM) state. We also find the inter-layer superconducting pairing of $d_{x^2-y^2}$ orbitals dominates due to the large hopping parameter of $d_{z^2}$ along the vertical inter-layer bonds and significant Hund's coupling between $d_{z^2}$ and $d_{x^2-y^2}$ orbitals. Meanwhile, the G-AFM state and superconductivity state can coexist in the low hole doping regime. To take account of the pressure, we also analyze the impacts of inter-layer hopping amplitude on the system properties.

Electrical control of magnetism in van der Waals semiconductors is a promising step towards development of two-dimensional spintronic devices with ultralow power consumption for processing and storing information. Here, we propose a design for two-dimensional van der Waals heterostructures (vdWHs) that can host ferroelectricity and ferromagnetism simultaneously under hole doping. By contacting an InSe monolayer and forming an InSe/In$_{2}$Se$_{3}$ vdWH, the switchable built-in electric field from the reversible out-of-plane polarization enables robust control of the band alignment. Furthermore, switching between the two ferroelectric states ($P_\uparrow$ and $P_\downarrow$) of hole-doped In$_{2}$Se$_{3}$ with an external electric field can interchange the ON and OFF states of the nonvolatile magnetism. More interestingly, doping concentration and strain can effectively tune the magnetic moment and polarization energy. Therefore, this provides a platform for realizing multiferroics in ferroelectric heterostructures, showing great potential for use in nonvolatile memories and ferroelectric field-effect transistors.

Magnetic domain wall (DW), as one of the promising information carriers in spintronic devices, have been widely investigated owing to its nonlinear dynamics and tunable properties. Here, we theoretically and numerically demonstrate the DW dynamics driven by the synergistic interaction between current-induced spin-transfer torque (STT) and voltage-controlled strain gradient (VCSG) in multiferroic heterostructures. Through electromechanical and micromagnetic simulations, we show that a desirable strain gradient can be created and it further modulates the equilibrium position and velocity of the current-driven DW motion. Meanwhile, an analytical Thiele's model is developed to describe the steady motion of DW and the analytical results are quite consistent with the simulation data. Finally, we find that this combination effect can be leveraged to design DW-based biological neurons where the synergistic interaction between STT and VCSG-driven DW motion as integrating and leaking motivates mimicking leaky-integrate-and-fire (LIF) and self-reset function. Importantly, the firing response of the LIF neuron can be efficiently modulated, facilitating the exploration of tunable activation function generators, which can further help improve the computational capability of the neuromorphic system.

Rare-earth-free Mn-based binary alloy ${\rm L1_{0}}$-MnAl with bulk perpendicular magnetic anisotropy (PMA) holds promise for high-performance magnetic random access memory (MRAM) devices driven by spin-orbit torque (SOT). However, the lattice-mismatch issue makes it challenging to place conventional spin current sources, such as heavy metals, between ${\rm L1_{0}}$-MnAl layers and substrates. In this work, we propose a solution by using the B2-CoGa alloy as the spin current source. The lattice-matching enables high-quality epitaxial growth of 2-nm-thick ${\rm L1_{0}}$-MnAl on B2-CoGa, and the ${\rm L1_{0}}$-MnAl exhibits a large PMA constant of $1.04\times 10^{6}$ J/m$^{3}$. Subsequently, the considerable spin Hall effect in B2-CoGa enables the achievement of SOT-induced deterministic magnetization switching. Moreover, we quantitatively determine the SOT efficiency in the bilayer. Furthermore, we design an ${\rm L1_{0}}$-MnAl/B2-CoGa/Co$_{2}$MnGa structure to achieve field-free magnetic switching. Our results provide valuable insights for achieving high-performance SOT-MRAM devices based on ${\rm L1_{0}}$-MnAl alloy.

Controlling collective electronic states hold great promise for development of innovative devices. Here, we experimentally detect the modification of the charge density wave (CDW) phase transition within a 1T-TaS$_{{2}}$ layer in a WS$_{{2}}$/1T-TaS$_{{2}}$ heterostructure using time-resolved ultrafast spectroscopy. Laser-induced charge transfer doping strongly suppresses the commensurate CDW phase, which results in a significant decrease in both the phase transition temperature ($T_{\rm c}$) and phase transition stiffness. We interpret the phenomenon that photo-induced hole doping, when surpassing a critical threshold value of $\sim$ $10^{18}$ cm$^{-3}$, sharply decreases the phase transition energy barrier. Our results provide new insights into controlling the CDW phase transition, paving the way for optical-controlled novel devices based on CDW materials.

Compared with conventional solid-state electrolytes, halide solid-state electrolytes have several advantages such as a wider electrochemical window, better compatibility with oxide cathode materials, improved air stability, and easier preparation conditions making them conductive to industrial production. We concentrate on a typical halide solid-state electrolyte, Li$_{3}$InCl$_{6}$, predict the most stable structure after doping with Br, F, and Ga by using the Alloy Theoretic Automated Toolkit based on first-principles calculations, and verify the accuracy of the prediction model. To investigate the potential of three equivalently doped ground state configurations of Li$_{3}$InCl$_{6}$ as solid-state electrolytes for all-solid-state lithium-ion batteries, their specific properties such as crystal structure, band gap, convex packing energy, electrochemical stability window, and lithium-ion conductivity are computationally analyzed using first-principles calculations. After a comprehensive evaluation, it is determined that the F-doped ground state configuration Li$_{3}$InCl$_{2.5}$F$_{3.5}$ exhibits better thermal stability, wider electrochemical stability window, and better lithium ion conductivity (1.80 mS$\cdot$cm$^{-1}$ at room temperature). Therefore, Li$_{3}$InCl$_{2.5}$F$_{3.5}$ has the potential to be used in the field of all-solid-state lithium-ion batteries as a new type of halide electrolyte.

A hypothetical photon mass $m_{\gamma}$ can produce a frequency-dependent vacuum dispersion of light, which leads to an additional time delay between photons with different frequencies when they propagate through a fixed distance. The dispersion measure and redshift measurements of fast radio bursts (FRBs) have been widely used to constrain the rest mass of the photon. However, all current studies analyzed the effect of the frequency-dependent dispersion for massive photons in the standard $\Lambda$CDM cosmological context. In order to alleviate the circularity problem induced by the presumption of a specific cosmological model based on the fundamental postulate of the masslessness of photons, here we employ a new model-independent smoothing technique, artificial neural network (ANN), to reconstruct the Hubble parameter $H(z)$ function from 34 cosmic-chronometer measurements. By combining observations of 32 well-localized FRBs and the $H(z)$ function reconstructed by ANN, we obtain an upper limit of $m_{\gamma} \le 3.5 \times 10^{-51}$ kg, or equivalently $m_{\gamma}\le2.0 \times 10^{-15}$ eV/c$^2$ ($m_{\gamma} \le 6.5 \times 10^{-51}$ kg, or equivalently $m_{\gamma} \le 3.6 \times 10^{-15}$ eV/c$^2$) at the $1\sigma$ ($2\sigma$) confidence level. This is the first cosmology-independent photon mass limit derived from extragalactic sources.