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Magnetism and Superconductivity in the t–J Model of La3Ni2O7 Under Multiband Gutzwiller Approximation 多带古茨维勒近似下 La3Ni2O7 t-J 模型的磁性和超导性
IF 3.5 2区 物理与天体物理 Q2 Physics and Astronomy Pub Date : 2024-04-30 DOI: 10.1088/0256-307x/41/5/057403
Jie-Ran Xue, 洁然 薛, Fa Wang and 垡 王
The recent discovery of possible high temperature superconductivity in single crystals of La3Ni2O7 under pressure renews the interest in research on nickelates. The density functional theory calculations reveal that both dz2 and dx2–y2 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 dz2 and dx2–y2 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 dx2–y2 orbitals dominates due to the large hopping parameter of dz2 along the vertical inter-layer bonds and significant Hund’s coupling between dz2 and dx2–y2 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.
最近发现 La3Ni2O7 单晶体在压力下可能具有高温超导性,这再次激发了人们对镍酸盐研究的兴趣。密度泛函理论计算显示,dz2 和 dx2-y2 轨道都是活跃的,这表明需要一个最小的双轨道模型来捕捉该体系的低能物理。在这项工作中,我们研究了多带古茨维勒近似中的双层双轨道 t-J 模型,并讨论了在广泛的空穴掺杂范围内的磁性和超导性。由于 dz2 和 dx2-y2 轨道之间的轨道间超交换过程,层内的诱导铁磁耦合与传统的反铁磁耦合发生了竞争,并导致了体系磁性能的复杂空穴掺杂依赖性。随着空穴掺杂量的增加,体系会从开始的 G 型反铁磁(G-AFM)态转移到 A 型反铁磁态。我们还发现,dx2-y2 轨道的层间超导配对占主导地位,这是由于 dz2 沿垂直层间键的跳变参数较大,以及 dz2 和 dx2-y2 轨道之间存在显著的 Hund 耦合。同时,在低空穴掺杂状态下,G-AFM 状态和超导状态可以共存。考虑到压力因素,我们还分析了层间跳变振幅对系统特性的影响。
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引用次数: 0
Maxwell Demon and Einstein–Podolsky–Rosen Steering 麦克斯韦魔与爱因斯坦-波多尔斯基-罗森转向
IF 3.5 2区 物理与天体物理 Q2 Physics and Astronomy Pub Date : 2024-04-30 DOI: 10.1088/0256-307x/41/5/050302
Meng-Jun Hu, 孟军 胡, Xiao-Min Hu, 晓敏 胡, Yong-Sheng Zhang and 永生 张
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.
麦克斯韦妖和量子纠缠的研究非常重要,因为它在物理学中具有奠基性意义,并有可能应用于量子信息领域。以往对麦克斯韦妖的研究主要集中在热力学方面,考虑到了量子相关性。在这里,我们从另一个角度考虑,询问量子非位置相关性是否可以通过做功来模拟。因此,我们提出了麦克斯韦恶魔辅助爱因斯坦-波多尔斯基-罗森(EPR)转向,这意味着一种新型的漏洞。兰道尔擦除原理的应用表明,在转向任务中,唯一能堵住这个漏洞的方法就是由参与者持续监测局部环境的热波动。我们构建了一个麦克斯韦妖辅助 EPR 转向的量子电路模型,目前的可编程量子处理器(如超导量子计算机)可以证明这一点。基于这个量子电路模型,我们得到了一个定量公式,描述了魔鬼工作导致的能量耗散与量子非位置相关性之间的关系。这一结果具有极大的物理意义,因为它为探索和理解量子非位置性、信息和热力学之间的关系提供了一种新方法。
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引用次数: 0
Interlayer Magnetic Interaction in the CrI3/CrSe2 Heterostructure CrI3/CrSe2 异质结构中的层间磁相互作用
IF 3.5 2区 物理与天体物理 Q2 Physics and Astronomy Pub Date : 2024-04-30 DOI: 10.1088/0256-307x/41/5/057401
Qiu-Hao Wang, 秋皓 王, Mei-Yan Ni, 美燕 倪, Shu-Jing Li, 淑静 李, Fa-Wei Zheng, 法伟 郑, Hong-Yan Lu, 洪艳 路, Ping Zhang and 平 张
Based on first-principles calculations, we systematically study the stacking energy and interlayer magnetic interaction of the heterobilayer composed of CrI3 and CrSe2 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 CrI3/CrSe2 heterostructure, which is expected to be applied to spintronic devices.
基于第一原理计算,我们系统地研究了由 CrI3 和 CrSe2 单层组成的异质层的堆积能和层间磁相互作用。研究发现,堆积顺序在层间磁耦合中起着至关重要的作用。在所有可能的堆叠结构中,AA 堆垛是最稳定的异质结构,表现出层间反铁磁相互作用。有趣的是,层间磁相互作用可以通过双轴应变进行有效调节。4.3% 的压缩应变将导致所有堆叠阶的层间铁磁相互作用。这些结果揭示了 CrI3/CrSe2 异质结构的磁特性,有望应用于自旋电子器件。
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引用次数: 0
Photodoping-modified charge density wave phase transition in WS2/1T-TaS2 heterostructure WS2/1T-TaS2 异质结构中光掺杂修饰的电荷密度波相变
IF 3.5 2区 物理与天体物理 Q2 Physics and Astronomy Pub Date : 2024-04-23 DOI: 10.1088/0256-307x/41/5/057801
Rui Wang, Jianwei Ding, Fei Sun, Jimin Zhao, Xiaohui Qiu
Controlling collective electronic states holds great promise for the development of innovative devices. Here, we experimentally detect the modification of the charge density wave (CDW) phase transition within a 1T-TaS2 layer in a WS2/1T-TaS2 heterostructure using time-resolved ultrafast spectroscopy. Laser-induced charge transfer doping strongly suppresses the commensurate CDW (CCDW) phase, which results in a significant decrease in both the phase transition temperature (T c) and phase transition stiffness (PTS). We interpret that photo-induced hole doping, when surpassing a critical threshold value of ~1018/cm3, 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.
控制集体电子态为开发创新设备带来了巨大希望。在这里,我们利用时间分辨超快光谱法,通过实验检测了 WS2/1T-TaS2 异质结构中 1T-TaS2 层内电荷密度波 (CDW) 相变的变化。激光诱导的电荷转移掺杂强烈抑制了相称 CDW(CCDW)相,导致相变温度(T c)和相变刚度(PTS)显著降低。我们解释说,光诱导空穴掺杂当超过 ~1018/cm3 的临界阈值时,相变能垒会急剧下降。我们的研究结果为控制 CDW 相变提供了新的见解,为基于 CDW 材料的光控新型器件铺平了道路。
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引用次数: 0
High power Raman soliton generation at 1.7 µm in all-fiber polarization-maintaining erbium-doped amplifier 在全光纤偏振维持掺铒放大器中产生 1.7 µm 波长的高功率拉曼孤子
IF 3.5 2区 物理与天体物理 Q2 Physics and Astronomy Pub Date : 2024-04-23 DOI: 10.1088/0256-307x/41/5/054201
Zipeng Xu, Xuan Wang, Chuan-Fei Yao, Lin-Jing Yang, Ping-Xue Li
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 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.
基于拉曼诱导的孤子自移频效应,演示了一种工作波长为 1.7 µm 的全光纤偏振维持高功率激光系统。该全光纤化系统由掺铒振荡器和两级放大器组成,采用偏振维持型商用硅光纤和器件,可提供稳健而稳定的孤子产生。主放大器直接产生平均功率为 0.28 W、重复频率为 42.7 MHz、脉冲持续时间为 515 fs 的高功率孤子激光。我们的实验为在 1.7 μm 波长工作的高功率全光纤偏振维持飞秒激光器的产生提供了一种可行的方法。
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引用次数: 0
Prediction of Ground State Configurations and Electrochemical Properties of Li3InCl6 doped with F, Br and Ga 掺杂 F、Br 和 Ga 的 Li3InCl6 的基态构型和电化学性质预测
IF 3.5 2区 物理与天体物理 Q2 Physics and Astronomy Pub Date : 2024-04-23 DOI: 10.1088/0256-307x/41/5/058201
Zhengyu Lu, Le-Tian Chen, Xu Hu, Su-Ya Chen, Xu Zhang, Zhen Zhou
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 focused on a typical halide solid-state electrolyte, Li3InCl6 and predicted the most stable structure after doping with Br, F, and Ga by using the Alloy Theoretic Automated Toolkit based on first-principles calculations, and verified the accuracy of the prediction model. To investigate the potential of three equivalently doped ground state configurations of Li3InCl6 as solidstate 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 were computationally analyzed using first-principles calculations. After a comprehensive evaluation, it was determined that the F-doped ground state configuration Li3InCl2.5F3.5 exhibits better thermal stability, wider electrochemical stability window, and better lithium ion conductivity (1.80 mS cm-1 at room temperature). Therefore, Li3InCl2.5F3.5 has the potential to be used in the field of all-solid-state lithium-ion batteries as a new type of halide electrolyte.
与传统固态电解质相比,卤化物固态电解质具有多种优势,如电化学窗口更宽、与氧化物阴极材料的兼容性更好、空气稳定性更强、制备条件更简便等,因此可用于工业生产。我们以典型的卤化物固态电解质 Li3InCl6 为研究对象,利用基于第一性原理计算的合金理论自动工具包预测了掺杂 Br、F 和 Ga 后最稳定的结构,并验证了预测模型的准确性。为了研究三种等效掺杂基态构型的 Li3InCl6 作为全固态锂离子电池固态电解质的潜力,利用第一性原理计算分析了它们的晶体结构、带隙、凸堆积能、电化学稳定窗口和锂离子电导率等具体性质。经过综合评估,确定掺杂 F 的基态构型 Li3InCl2.5F3.5 具有更好的热稳定性、更宽的电化学稳定窗口和更高的锂离子电导率(室温下为 1.80 mS cm-1)。因此,Li3InCl2.5F3.5 作为一种新型卤化物电解质,有望应用于全固态锂离子电池领域。
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引用次数: 0
Hole doped nonvolatile and electrically controllable magnetism in van der Waals ferroelectric heterostructures 范德瓦耳斯铁电异质结构中的掺孔非易失性和电可控磁性
IF 3.5 2区 物理与天体物理 Q2 Physics and Astronomy Pub Date : 2024-04-19 DOI: 10.1088/0256-307x/41/5/057501
Xinxin Jiang, Zhikuan Wang, Chong Li, Xuelian Sun, Lei Yang, Dong-Xu Li, Bin Cui, Desheng Liu
Electrical control of magnetism in van der Waals semiconductors is a promising step toward developing two-dimensional ultralow-power-consumption spintronic devices 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/In2Se3 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↑ and P↓) of hole-doped In2Se3 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 in nonvolatile memories and ferroelectric field-effect transistors.
对范德华半导体中的磁性进行电控制,是开发用于处理和存储信息的二维超低功耗自旋电子器件的一个很有前景的步骤。在此,我们提出了一种二维范德瓦尔斯异质结构(vdWHs)的设计方案,在空穴掺杂的情况下,它可以同时承载铁电性和铁磁性。通过接触 InSe 单层并形成 InSe/In2Se3 vdWH,可逆面外极化产生的可切换内置电场实现了对带排列的稳健控制。此外,在外加电场的作用下,在空穴掺杂的 In2Se3 的两种铁电状态(P↑ 和 P↓)之间切换,可以交换非易失性磁性的 ON 和 OFF 状态。更有趣的是,掺杂浓度和应变可以有效调节磁矩和极化能。因此,这为在铁电异质结构中实现多铁性提供了一个平台,在非易失性存储器和铁电场效应晶体管中显示出巨大的潜力。
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引用次数: 0
The Combined Effect of Spin-transfer Torque and Voltage-controlled Strain Gradient on Magnetic Domain-wall Dynamics: Toward Tunable Spintronic Neuron 自旋传递转矩和电压控制应变梯度对磁畴壁动力学的联合影响:迈向可调谐的自旋电子神经元
IF 3.5 2区 物理与天体物理 Q2 Physics and Astronomy Pub Date : 2024-04-17 DOI: 10.1088/0256-307x/41/5/057502
Guo-Liang Yu, Xin-Yan He, Sheng-Bin Shi, Yang Qiu, Mingmin Zhu, Jia-Wei Wang, Yan Li, Yuan-Xun Li, Jie Wang, Haomiao Zhou
Magnetic domain wall (DW), as one of the promising information carriers in spintronic devices, have been widely investigated owing to their nonlinear dynamics and tunable properties. Here, we have theoretically and numerically demonstrated the DW dynamics driven by the synergistic interaction between current-induced spintransfer torque (STT) and voltage-controlled strain gradient (VCSG) in multiferroic heterostructures. Through electromechanical and micromagnetic simulations, we have shown that a desirable strain gradient can be created and further modulated 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 one. 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.
磁畴壁(DW)是自旋电子器件中极具前景的信息载体之一,由于其非线性动力学和可调谐特性而受到广泛研究。在这里,我们从理论和数值上证明了多铁氧体异质结构中电流诱导的自旋转移力矩(STT)和电压控制应变梯度(VCSG)之间的协同作用所驱动的磁畴壁动力学。通过机电和微磁模拟,我们证明可以产生理想的应变梯度,并进一步调制电流驱动 DW 运动的平衡位置和速度。同时,我们还建立了一个蒂勒分析模型来描述 DW 的稳定运动,分析结果与模拟结果相当吻合。最后,我们发现可以利用这种组合效应来设计基于 DW 的生物神经元,其中 STT 和 VCSG 驱动的 DW 运动作为整合和泄漏的协同交互作用激发了模仿泄漏-整合-发射(LIF)和自复位功能。重要的是,LIF 神经元的点火响应可以被有效调制,从而促进对可调激活函数发生器的探索,这有助于进一步提高神经形态系统的计算能力。
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引用次数: 0
ESM Cloud Toolkit: A copilot for energy storage material research ESM 云工具包:储能材料研究的领航者
IF 3.5 2区 物理与天体物理 Q2 Physics and Astronomy Pub Date : 2024-04-17 DOI: 10.1088/0256-307x/41/5/054701
Jing Xu, Rui Xiao, Hong Li
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 allowing individual research data to play a greater role in the era of AI.
寻找和设计新材料对储能设备的开发起着至关重要的作用。在机器学习技术对各种任务显示出强大预测能力的今天,与机器学习技术的结合将加速材料开发的进程。在此,我们开发了基于 MatElab 平台的储能材料 ESM 云工具包,旨在方便、准确地自动记录和保存科研原始数据。ESM云工具包包括计算模拟数据自动归档、实验数据后处理和机器学习应用等多种功能。它使整个研究工作流程更加自动化,降低了机器学习技术在储能材料领域应用的入门门槛。它集数据归档、可追溯性、处理和再利用于一体,让个人研究数据在人工智能时代发挥更大作用。
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引用次数: 0
Pressure-tunable large anomalous Hall effect in ferromagnetic metal LiMn6Sn6 铁磁金属 LiMn6Sn6 中的压力可调大反常霍尔效应
IF 3.5 2区 物理与天体物理 Q2 Physics and Astronomy Pub Date : 2024-04-17 DOI: 10.1088/0256-307x/41/5/057302
Lingling Gao, J. Lai, Dong Chen, Cuiying Pei, Qi Wang, Yi Zhao, Changhua Li, W. Cao, Juefei Wu, Yulin Chen, Xingqiu Chen, Yan Sun, C. Felser, Yanpeng Qi
Recently, the giant intrinsic anomalous Hall effect (AHE) has been observed in the materials with kagome lattice. In this study, we systematically investigate the influence of high pressure on the AHE in the ferromagnet LiMn6Sn6 with clean Mn kagome lattice. Our in-situ high-pressure Raman spectroscopy indicates that the crystal structure of LiMn6Sn6 maintains a hexagonal phase under high pressures up to 8.51 GPa. The anomalous Hall conductivity (AHC) σxy A remains around 150 Ω-1 cm-1, dominated by the intrinsic mechanism. Combined with theoretical calculations, our results indicate that the stable AHE under pressure in LiMn6Sn6 originates from the robust electronic and magnetic structure.
最近,在具有鹿目晶格的材料中观察到了巨大的本征反常霍尔效应(AHE)。在本研究中,我们系统地研究了高压对具有清洁锰鹿角晶格的铁磁体 LiMn6Sn6 中反常霍尔效应的影响。我们的原位高压拉曼光谱表明,在高达 8.51 GPa 的高压下,LiMn6Sn6 的晶体结构保持六方相。反常霍尔电导率(AHC)σxy A 保持在 150 Ω-1 cm-1 左右,由内在机制主导。结合理论计算,我们的研究结果表明,LiMn6Sn6 在压力下的稳定 AHE 源自其稳健的电子和磁性结构。
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引用次数: 0
期刊
Chinese Physics Letters
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