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Progress in First-Principles Methods for Simulation of Warm Dense Matter ZHANG Hang, CHEN Mo-han Progress in Physics    2024, 44 (2): 49-72.   DOI: 10.13725/j.cnki.pip.2024.02.001 Abstract （767）      PDF （2466KB）（593）       Warm Dense Matter (WDM) represents a transitional state of matter situated between condensed matter and plasma, emerging as a cutting-edge research direction within the realms of planetary physics, laboratory astrophysics, and inertial confinement fusion in the field of high-energy density physics. WDM is characterized by significant quantum effects, partial ionization, strong coupling, electron degeneracy, and thermal effects, necessitating a description based on fundamental quantum mechanical theories. In recent years, simulations and calculations based on quantum mechanics’ first principles have rapidly advanced, increasingly becoming an effective tool for a deeper understanding of WDM properties. On one hand, applying First Principles widely used in condensed matter physics and materials science to WDM poses considerable challenges, especially under extreme conditions such as broad temperature ranges and high pressures, which require continuous improvements to existing first-principle algorithms and software. On the other hand, the rapid development of machine learning-based molecular dynamics methods offers new tools for simulating WDM. In this review, we initially revisit traditional first principles applicable to WDM simulations, including Kohn-Sham Density Functional Theory and Orbital-free Density Functional Theory. Subsequently, we introduce newly developed methods and software, such as Extended First Principles Molecular Dynamics and Stochastic Density Functional Theory, the latter of which has been implemented in the domestically developed open-source density functional theory software, Atomic-orbital Based Ab-initio Computation at UStc (ABACUS). These innovative approaches significantly boost the computational scale and efficiency of WDM studies, thereby elevating the precision of structural, dynamical, and transport coefficient calculations related to WDM Related Articles | Metrics

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Recent Progress on the Effect of the Electronic Structure on Electrocatalytic Performance of Single Atom Catalysts HE Yue-xuan, WANG Tong-hui, WEN Zi, JIANG Qing Progress in Physics    2024, 44 (3): 136-156.   DOI: 10.13725/j.cnki.pip.2024.03.004 Abstract （738）      PDF （2081KB）（318）       Single atom catalysts (SACs) are promising candidates for various catalytic systems due to their unique electronic structures and the highest atom utilization. Modulating the electronic structure of SACs catalysts is the key to its further development, can optimize the adsorption and bonding energies of the catalysts by regulating the electronic properties, and thus improves the catalytic activity and stability. Herein, we provide a comprehensive understanding of SACs in catalysis through their electronic structures and their associated knowledges. Various electronic properties have been discussed, such as energy band structure, orbital hybridization and associated spin states, etc. Electrocatalysis as a technology for reducing carbon emissions and utilizing renewable energy sources which can address growing pollution problems, is receiving increasing attention, making the design of high-performance catalysts critical. From this review, we discusse how the electronic structure of SACs affects their electrochemical catalytic performance and explore its relationship with activity and stability of SACs. The understanding of the fundamentals of electronic structures in catalytic processes can provide rational guidance for the design of catalysts in various catalytic reactions in the future Related Articles | Metrics

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Research Progress on the Regulation of Metal-Site Bismuth Doping in Halide Perovskites HUANG Xiao-rui, SUN Yue, HE Sheng-rong, XING Jun Progress in Physics    2024, 44 (2): 73-95.   DOI: 10.13725/j.cnki.pip.2024.02.002 Abstract （688）      PDF （8816KB）（954）       Related Articles | Metrics

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Halide Perovskite Single Crystals and Photodetectors: Research Progress and Challenges  SUN Yue, HUANG Xiao-rui , HE Sheng-rong, XING Jun Progress in Physics    2024, 44 (5): 209-242.   DOI: 10.13725/j.cnki.pip.2024.05.001 Abstract （684）      PDF （15745KB）（985）       In recent years, metal halide perovskite materials have made great scientific progress in the field of light detection, photoelectric conversion, and light emission due to their excellent optical and electrical properties (such as high absorption coefficient, long carrier diffusion length, small exciton binding energy, high defect tolerance, and adjustable band gap, etc.), and low-cost solution preparation process. In recent decades, scientific research on the preparation and optimization of perovskite single crystals has been promoted driven by their advantages compared to polycrystalline perovskite films. These advantages include longer carrier lifetime, higher carrier mobility, longer diffusion length, and lower trap density. High-quality halide perovskite single crystals have been widely used in important applications such as photodetection. This review focuses on the recent advancements in photodetector technology using various forms and chemical compositions of halide perovskite single crystals, including single crystal bulks and single crystal thin films. Firstly, we systematically review the preparation and optimization progress of halide perovskite single crystals, with a focus on the latest progress in triple cations hybrid perovskite single crystals. After that, a comprehensive introduction was given to the research status of various types of photodetectors based on perovskite single crystals. Finally, the current challenges and future development prospects in the research field of halide perovskite single crystal photodetector are summarized in order to promote rapid progress and development in this field. Related Articles | Metrics

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Theoretical Insights into the Triplet-Pair State of Singlet Fissio TONG Lei, ZHANG Chun-feng Progress in Physics    2024, 44 (3): 112-122.   DOI: 10.13725/j.cnki.pip.2024.03.002 Abstract （589）      PDF （1708KB）（530）       Singlet fission is a photophysical process in organic materials where a photoexcited singlet exciton splits into two triplet excitons. This process has gained a lot of interest in the past decade for enhancing the efficiency of photovoltaic conversion. Precious work identified a crucial intermediate state in singlet fission, and the construction of the wave function for this correlated triplet-pair state poses a significant challenge. This article serves as a comprehensive introduction to theoretical models designed for constructing the wave function of the correlated triplet-pair. Subsequently, we delve into an exploration of the intricate effects of vibrational, orbital, and spin interactions on the formation and dissociation of the intermediate state. Finally, we conclude with a succinct summary of the challenges anticipated to shape the landscape of future theoretical research in this field. Related Articles | Metrics

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Wave Velocity Measurement and Modulation of Surface Acoustic Waves in Piezoelectric Materials  WANG Ren-fei, LIU Xiao, WU Meng-meng, LIN Xi, LIU Yang Progress in Physics    2024, 44 (3): 103-111.   DOI: 10.13725/j.cnki.pip.2024.03.001 Abstract （542）      PDF （4278KB）（783）       In addition to the well-known conventional acoustic wave propagation mode in three-dimensional solids, there exists the surface acoustic wave propagation mode where energy is only concentrated near the two-dimensional interface. In this work, utilizing the piezoelectric and inverse piezoelectric effects from GaAs substrates, we achieve the conversion between radiofrequency electromagnetic waves and surface acoustic waves with planar interdigital transducers, and successfully measure the surface acoustic wave velocity on a sample with a dimension of only 4 mm using superheterodyne-scheme lock-in technique, yielding a result of (2.9±0.1) km/s. We also fabricate a uniaxial stress cell with piezoelectric ceramics, capable of applying uniaxial strains up to approximately 10−4 to the sample, and observe the influence of strain on the surface acoustic wave velocity. We measure the surface acoustic wave velocity of the important semiconductor GaAs under stress, demonstrating the capability of this velocity measurement technique to probe the internal mechanical properties of solids in situ. The wave velocity measurements based on planar interdigital transducers overcome the macroscopic size requirements of traditional time-of-flight and standing wave methods. The superheterodyne-scheme lock-in technique established in this article has replaced the commercial vector network analyzers for measuring surface acoustic wave velocity, enabling possible future applications with low power input and high phase stability. As the measurement setup can also be used for experimental teaching related to solid-state physics, this work provides detailed parameters and fabrication processes for surface acoustic wave devices and homemade stress cell. Related Articles | Metrics

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Recent Progress in Ultrafast Spin Dynamics in Two-Dimensional van der Waals Antiferromagnets LI Jin-yang , WU Fang-liang , ZHANG Qi Progress in Physics    2024, 44 (6): 293-308.   DOI: 10.13725/j.cnki.pip.2024.06.003 Abstract （507）      PDF （4771KB）（492）       Antiferromagnets exhibit high-speed spin responses in the terahertz frequency range and robustness against external magnetic fields, making them promising for nextgeneration high-speed, high-density spintronic devices. Recently, two-dimensional van der Waals magnetic systems, which possess rich antiferromagnetic ground states, have gained significant attention and serve as ideal platforms for studying low-dimensional antiferromagnetic physics. Detecting and controlling ultrafast spin dynamics in two-dimensional antiferromagnetic systems will lay the foundation for high-speed spintronic device applications. Antiferromagnets have no net macroscopic magnetization, making traditional optical methods, such as magneto-optical effects, challenging for detecting antiferromagnetic order in equilibrium states. However, in non-equilibrium states, the instantaneous magnetization generated by antiferromagnetic spin dynamics allows the use of time-resolved magneto-optical Kerr effect to detect coherent spin precession in antiferromagnets. Additionally, techniques such as linear dichroism spectroscopy, terahertz emission spectroscopy, and second harmonic generation have been employed in studying the dynamics of two-dimensional antiferromagnets. This paper introduces recent experimental progress on ultrafast spin dynamics in two-dimensional van der Waals antiferromagnetic systems, and briefly describes the coherent magnon excitations and corresponding mechanisms in two-dimensional antiferromagnets, including inverse magneto-optical effects/stimulated Raman scattering, orbital excitations, and exciton coupling. Furthermore, this paper discusses the critical slowing down of spin dynamics due to spin-lattice coupling effects and the amplification of coherent acoustic phonons. Related Articles | Metrics

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Image Sensor Based on Halide Perovskite ZHANG Qiang, DONG Hao-tian, BAO Chun-xiong Progress in Physics    2024, 44 (6): 278-292.   DOI: 10.13725/j.cnki.pip.2024.06.002 Abstract （467）      PDF （5446KB）（348）       Image sensors have extensive applications in both industrial and everyday settings. For example, X-ray sensors are widely used in medical imaging and security screening; visible light sensors are essential in facial recognition and smart devices; near-infrared sensors are crucial for biometric identification. Currently, these image sensors mainly utilize photodetectors based on silicon, germanium, or III-V group semiconductors. However, these sensors exhibit certain limitations, such as low light utilization efficiency in color image sensors and the occurrence of moiré patterns. Metal halide perovskites have emerged as a promising material for high-performance photodetectors due to their excellent optoelectronic properties, including high light absorption coefficients, tunable bandgaps, and high defect tolerance. This review summarizes the research advancements in image sensors based on metal halide perovskites, evaluates the current performance gap between these sensors and commercial devices, and suggests potential improvements to bridge this gap. Related Articles | Metrics

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Working Memory: Mechanisms and Modeling Approaches YANG Fan, QIAN Rui-xin, WANG Tao Progress in Physics    2024, 44 (5): 243-258.   DOI: 10.13725/j.cnki.pip.2024.05.002 Abstract （452）      PDF （2967KB）（665）       Working memory, a cornerstone of human cognition, allows us to temporarily hold and manipulate information. The delayed response experiment is a fundamental tool for understanding working memory. By inserting a delay between the presentation of stimuli and the behavioral decision, researchers can probe the neural mechanisms underlying information maintenance and manipulation during this delay period. This review delves into the delayed response paradigm and introduces attractor dynamics as a potential mechanism for working memory function. We then systematically explore two common methods for analyzing working memory networks: trajectory tracking, and energy landscape and flux theory. Finally, we summarize the key features of these two dynamical approaches and provide an outlook for future directions of working memory research. Related Articles | Metrics

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Progress on High-Pressure Structure and Properties of Phosphorus and Phosphide HUANG Ye-hua, GUO Zhen-yuan, LI Jun-kai, YANG Xin, GOU Hui-yang Progress in Physics    2024, 44 (3): 123-135.   DOI: 10.13725/j.cnki.pip.2024.03.003 Abstract （450）      PDF （6131KB）（718）       Phosphorus，a group V non-metallic element, exhibits a unique electronic structure along with excellent optical, electrical and mechanical properties, and has a wide range of application prospects. Recent studies have demonstrated that phosphorus and phosphides are easily affected and regulated by external fields and have rich physical and chemical properties under high pressure. In addition, the unique structure and electronic properties of phosphorus and phosphides give them many physical properties that differ from those of traditional materials. Therefore, the use of high pressure to induce structural transformation and superconducting transformation in phosphorus and phosphides has become the focus of high-pressure research. In this paper, the structural, electrical, and optical responses of black phosphorus, germanium phosphide, and arsenic phosphide under high-pressure conditions are reviewed and discussed. Furthermore, we also explore the structure-activity relationships between the structures and physical properties and forecast the future research directions of phosphides under high pressure. Related Articles | Metrics

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Profiling of the Local Distribution of Hot-Carrier-Induced Defects in Nanoscale CMOS Devices MA Li-juan, TAO Yong-chun Progress in Physics    2024, 44 (2): 97-101.   DOI: 10.13725/j.cnki.pip.2024.02.003 Abstract （446）      PDF （436KB）（197）       A surface potential technique is proposed to characterize the local distribution of hot-carrier-induced interface states and oxide charge in nanoscale CMOS devices. These defects are produced by the hot carrier injection stress in the Si/SiO2 interface and the gate oxide layer. With the increase of the stress time, the interface state and oxide charge will cause the drift of the device parameters such as the threshold voltage. Based on the DIBL effect, the threshold voltage offset at the peak of the surface potential is selected to characterize the number of HCI induced interface state and oxide charge at the corresponding position of the channel.The distribution of threshold voltage offset with source/drain voltage before and after HCI stress was measured. The local distribution of interface state and oxide charge numbers along the channel are obtained by surface potential model. In this paper, the distributions of interface state and oxide charge induced by HCI stress in 32 nm CMOS devices are accurately characterized, and the mechanism of HCI generation is analyzed.  Related Articles | Metrics

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The Research Progress on One-Dimensional Spin-Orbit Coupled Fermi Gas CAI Qi-peng, ZHANG Wei-wei, LIN Liang-wei, XU Yi-guang, CHEN Zi-xuan, WANG Xiao-sheng, YU Hai-peng, FANG Xiao-hong, ZHANG Yi-cai, LIU Chao-fei Progress in Physics    2024, 44 (4): 157-182.   DOI: 10.13725/j.cnki.pip.2024.04.001 Abstract （412）      PDF （3164KB）（843）       In ultracold Fermi gases, by adjusting the strength of spin orbit coupling to match Fermi energy, many novel quantum effects can be generated. In the past few decades, scholars have conducted extensive theoretical and experimental research on Fermi gases induced by one-dimensional spin orbit coupling. Compared with high-dimensional spin orbit coupling, one-dimensional spin orbit coupling, although relatively simple, is the most reliable and feasible tool for exploring basic quantum physical phenomena in experiments. This paper systematically summarizes the interesting physical phenomena of Fermi gas under one-dimensional spin orbit coupling in theoretical work. Including theoretical research on dynamic oscillation and soliton effect, topological superfluid, Majorana edge state, ferromagnetic phase transition, and quantum phase. How to achieve spin orbit coupling and observe singular phenomena in experiments is a hot and difficult research topic. We summarize several common experimental schemes and detection methods. Finally, we look forward to the research on Fermi gas induced by one-dimensional spin orbit coupling. One dimensional spin orbit coupling can provide reference for abecedarians and contribute to the study of multi body system regulated by spin orbit coupling. This paper aims to provide a reference for abecedarians in cold atomic physics to gain a deeper understanding of the physical mechanisms of multi-body systems under spin orbit coupling. Related Articles | Metrics

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Investigation on the Electrical and Thermal Transport Properties of BiCuXO (X=S, Se, Te) Crystals TIAN Hao, DONG Song-tao, LI Yi-chi, LÜ Yang-yang, ZHOU Jian, CHEN Yan-bin, YAO Shu-hua Progress in Physics    2024, 44 (6): 259-277.   DOI: 10.13725/j.cnki.pip.2024.06.001 Abstract （387）      PDF （10894KB）（323）       BiCuXO (X=S, Se, Te), a layered oxide material, has garnered significant attention due to its exceptional electrical transport properties and inherently low thermal conductivity, positioning it as a prospective candidate for high-performance thermoelectric applications. The optimization of material physical properties is intrinsically linked to an in-depth investigation of the crystallographic properties. This study initially presents a meticulous account of the growth procedures for BiCuXO crystals, elucidating the enhancement of electrical transport characteristics through the modulation of carrier concentrations via growth methodologies and elemental doping. A comparative analysis with ceramic samples documented in the literature is also provided. Subsequently, the paper delves into the electrical and thermal transport properties of BiCuXO crystals. The electrical transport properties encompass conductive behavior, scattering mechanisms, and magnetic resistance evolution. The thermal transport performance is mainly studied through inelastic neutron scattering and Raman experiments, combined with first principles calculations to investigate the physical mechanism of its extremely low thermal conductivity. The paper culminates with an exposition on the application of BiCuSeO crystals in photothermal electricity, harnessing the thermoelectric effect. By summarizing the growth methodologies of BiCuXO crystals and examining their electrical, thermal, and photothermal properties, this paper endeavors to offer theoretical insights and experimental guidance for the enhancement of BiCuXO material performance. Related Articles | Metrics

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ZHOU Yi-fan , KONG Ling-xing , WU Ren-jie , LIU Feng Progress in Physics    2024, 44 (4): 183-196.   DOI: 10.13725/j.cnki.pip.2024.04.002 Abstract （330）      PDF （6737KB）（347）       Living cells constantly sense and respond to environmental changes. Transcription, the process by which DNA is transcribed into RNA, serves as a critical bridge between external signals and gene expression, ultimately shaping cellular behavior. To unravel the transcription dynamics and the relationship between input signals and gene expression out-put, various transcription models have been developed. This review explores these common models, their computational frameworks, and the resulting distributions for mRNA number and transcriptional event duration, which offer valuable insights into input-output relationships and underlying response mechanisms. We further analyze how different promoter types, chromatin environments, and network motifs influence these relationships. Finally, we probe how information theory can be applied to systems with near-maximum channel capacity to reveal the dynamic range of transcription factor concentrations, input-output dynamics, and the link between these factors and gene expression distribution. Through these multifaceted analyses, we identify key regulators of dynamic input-output relationships and gain deeper insights into how genes respond to transcription factor signals. Quantitative studies of input-output relationships hold promises for identifying key regulatory factors, predicting changes in gene expression patterns, and designing interventions to manipulate cellular functions and behavior. Related Articles | Metrics

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Electron Transport in Ferroelectric Tunnel Junctions Based on Two-Dimensional Janus GeS Bilayers SUN Kang, BIE Jie , LV Yang-yang, CHEN Shuang, FA Wei Progress in Physics    2024, 44 (4): 183-207.   DOI: 10.13725/j.cnki.pip.2024.04.003 Abstract （296）      PDF （1632KB）（238）       The two-dimensional van der Waals (2D vdW) Janus materials have different atomic species on both sides to ensure their structural asymmetry and inherent out-of-plane polarizations. A novel 2D vdW Janus material, GeS, was found to develop ferroelectric tunnel junctions (FTJs) with low energy consumption and high response speed. Based on our first-principles calculations, it is found that the Janus GeS bilayers own three stacking modes, and their lateral sliding and vertical displacement can both modulate the electron transport in GeS bilayer-based tunnel junctions. In addition, the FTJ based on GeGe-contacting GeS bilayer exhibits the highest on/off ratio. Our study expands the concept of sliding ferroelectricity to a new class of 2D vdW Janus materials and reveals the possible resistance switching mechanism of these materials in real devices. Furthermore, it provides theoretical guidance for the design of low-energy-consumption and fast-switching nanodevices based on 2D vdW Janus materials. Related Articles | Metrics