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The physical origin of electric polarizations in two dimensional ferroelectric monolayer materials. 二维铁电单层材料中电极化的物理起源。
IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-04-14 DOI: 10.1088/1361-648X/adc6e0
Xiao-Feng Luo, Zhuo-Peng Xia, Jin-Zhu Zhao

Over the past decade, a new class of ferroelectric materials with atomic-level thickness, particularly monolayer materials, has been predicted theoretically and confirmed experimentally. These two-dimensional ferroelectric materials, especially those exhibiting finite out-of-plane (OOP) polarizations, have garnered significant attention in both condensed matter physics and materials science. On one hand, they offer promising avenues for the miniaturization of ferroelectric devices. On the other hand, they reveal novel physical mechanisms that go beyond those found in conventional bulk ferroelectrics, enabling the emergence of OOP polarization under depolarization fields. Recent studies have identified various mechanisms capable of generating OOP polarization in monolayers, a phenomenon previously considered unlikely in traditional bulk materials like ferroelectric perovskites. This review article highlights the recent advancements in understanding two-dimensional ferroelectricity in monolayer candidates. We focus primarily on the exploration of these unique mechanisms, as investigated and rationalized in recent years. Furthermore, we discuss the promising prospects in this emerging field of ferroelectricity and the bright future of two-dimensional monolayer materials.

在过去的十年中,一类新的具有原子级厚度的铁电材料,特别是单层材料,已经在理论和实验上得到了预测和证实。这些二维铁电材料,特别是那些具有有限面外极化的材料,在凝聚态物理和材料科学中都引起了极大的关注。一方面,它们为铁电器件的小型化提供了有希望的途径。另一方面,它们揭示了超越传统块状铁电体的新物理机制,使去极化场下出现面外极化。最近的研究已经确定了能够在单层中产生面外极化的各种机制,这种现象以前被认为不太可能出现在铁电性钙钛矿等传统块状材料中。这篇综述文章重点介绍了单层候选材料中二维铁电性的最新进展。我们主要集中在探索这些独特的机制,作为调查和合理化在最近几年。此外,我们还讨论了铁电这一新兴领域的前景和二维单层材料的光明前景。
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引用次数: 0
Corrigendum: Direction-dependent conductivity in planar Hall set-ups with tilted Weyl/multi-Weyl semimetals (2024J. Phys.: Condens. Matter36 275501). 勘误:倾斜Weyl/多Weyl半金属的平面霍尔装置的方向相关电导率(2024J)。理论物理。:提供者。Matter36 275501)。
IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-04-11 DOI: 10.1088/1361-648X/adc866
Rahul Ghosh, Ipsita Mandal
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引用次数: 0
Topical review: electronic and optical properties of Kekulé and other short wavelength spatial modulated textures of graphene. 专题综述:kekul ' e和其他石墨烯短波空间调制结构的电子和光学性质。
IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-04-09 DOI: 10.1088/1361-648X/adc6e1
Elias Andrade, R Carrillo-Bastos, Gerardo G Naumis

A review of the electronic and optical properties of Kekulé and other short wavelength modulations textures on graphene is presented. Starting from the experimental realization of such textures, the review discusses the electronic and optical properties in terms of several theoretical models like the tight-binding Hamiltonian and effective low energy models based on the Dirac equation. Other surveyed subjects are, strain effects, valley engineering, Kekulé bilayers, zitterbewegung, Kekulé interfaces, valley birefringence and the skew valley scattering. Specific signatures in the optical and electronic conductivities of Kekule textures are next discussed using several approaches like linear response theory, the random phase approximation, and Floquet theory. Plasmons are also presented by considering the dielectric function. Finally, a discussion is presented on how Kekulé textures are related with highly correlated phases, including its importance in magic angle twisted bilayer graphene superconductivity and related quantum phases.

综述了石墨烯上Kekul'e和其他短波调制织构的电子和光学性质。本文从实验实现 ;这类织构出发,从紧密结合的哈密顿模型和基于Dirac方程的有效低能模型等理论模型讨论了其电子和光学性质。其他研究课题包括:应变效应、山谷工程、Keul'e双层、zitterbeweung、Kekul'e界面、山谷双折射和倾斜山谷散射。接下来将使用线性响应理论、随机相位近似和Floquet理论等几种方法讨论凯库勒织构的光学和电子电导率的特定特征。通过考虑介电函数,还提出了等离子体激元。最后,讨论了kekul织构与高相关相的关系,包括其在幻角扭曲双层石墨烯(MATBG)超导和相关量子相中的重要性。
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引用次数: 0
Recent developments on 2D-materials for gas sensing application. 用于气体传感的二维材料的最新进展。
IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-04-09 DOI: 10.1088/1361-648X/ada242
Chandra Prakash, Ankit K Yadav, Minakshi Sharma, Vijay K Singh, Ambesh Dixit

The industrialization has severely impacted the ecosystem because of intensive use of chemicals and gases, causing the undesired outcomes such as hazardous gases, e.g. carbon monoxide (CO), nitrous oxide (NOx), ammonia (NH3), hydrogen (H2), hydrogen sulfide (H2S) and even volatile organic compounds. These hazardous gases are not only impacting the living beings but also the entire ecosystem. Thus, it becomes essential to monitor these gases for their efficient management. There are continuous efforts to realize such sensors, which rely on the functional materials properties. The widely used such sensors use metal oxide nanomaterials. However, these are not very sensitive and operate at higher temperatures. In contrast, two-dimensional (2D) materials such as Graphene, Borophene, MXenes, and transition metal dichalcogenides (TMDs) including doping, functionalization, and heterostructures offer unique physical, chemical, and optoelectronic properties. The chemical properties with high specific surface area of 2D materials make them suitable for gas sensing applications. The present review covers the recent developments on 2D-layered material, including MoS2, WS2, h-BN, and Graphene, as well as their heterostructures for gas sensing applications. The review article also emphasizes their synthesis and characterization techniques, especially for 2D materials. The electronic properties of these materials are highly sensitive to any chemical changes, resulting in significant changes in their resistance. It led to the development of the highly scalable chemiresistive-based gas sensor. The sensing parameters such as sensitivity, selectivity, gas concentration, limit of detection, temperature, humidity, response, reproducibility, stability, recovery, and response time are discussed in detail to understand the gas sensing characteristics of these 2D materials. This review also includes the past developments, current status, and future scope of these 2D materials as highly efficient gas sensors. Thus, this review article may lead the researchers to design and develop highly sensitive gas sensors based on 2D materials.

由于工业化对化学品和气体的大量使用,严重影响了生态系统,产生了有害气体,如一氧化碳(CO)、氧化氮(NOx)、氨(NH3)、氢(H2)、硫化氢(H2S),甚至挥发性有机物。这些有害气体不仅影响着生物,也影响着整个生态系统。因此,必须对这些气体进行监测,以便对其进行有效管理。这种传感器的实现依赖于功能材料的特性,一直是人们不断努力的方向。目前广泛应用的这类传感器采用金属氧化物纳米材料。然而,这些不是很敏感,并且在较高的温度下工作。相比之下,二维(2D)材料,如石墨烯、硼苯、MXenes、过渡金属二硫族化合物(TMDs),包括掺杂、功能化和异质结构,具有独特的物理、化学和光电子特性。具有高比表面积的二维材料的化学性质使其适合于气体传感应用。本文介绍了2d - tmd层状材料的最新进展,包括MoS2, WS2, h-BN和石墨烯,以及它们的异质结构,用于气敏应用。文章还强调了它们的合成和表征技术,特别是二维材料。这些材料的电子特性对任何化学变化都高度敏感,导致其电阻发生显著变化。它导致了高度可扩展的化学电阻气体传感器的发展。详细讨论了灵敏度、选择性、气体浓度、检测限、温度、湿度、响应、再现性、稳定性、回收率和响应时间等传感参数,以了解这些二维材料的气敏特性。文章还包括这些材料作为高效气体传感器的过去发展,现状和未来范围。因此,这篇综述文章可能引导研究人员设计和开发基于二维材料的高灵敏度气体传感器。
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引用次数: 0
Machine learning-assisted study on the thermal transport properties of two-dimensional M3(C6O6)2(M = Fe, Co, Ni) materials. 二维M3(C6O6)2 (M=Fe, Co, Ni)材料热输运性质的机器学习辅助研究。
IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-04-09 DOI: 10.1088/1361-648X/adc77c
Meng-Jiao Teng, Li-Qin Deng, Pin-Zhen Jia, Wu-Xing Zhou

Two-dimensional metal-organic frameworks (MOF) are widely used in electronic devices and energy storage due to their large surface area, abundant active sites, and tunable sizes. A deeper understanding of the thermal transport properties of two-dimensional MOF materials is essential for these applications. In this work, we systematically studied the thermal transport properties of M3(C6O6)2(M = Fe, Co, Ni) by using a machine learning interatomic potential method combined with the phonon Boltzmann transport equation. The results show that the lattice thermal conductivities of Fe3(C6O6)2, Co3(C6O6)2, and Ni3(C6O6)2at room temperature are 4.0 W mK-1, 5.5 W mK-1, and 5.8 W mK-1, respectively. The differences in thermal conductivity primarily arise from variations in phonon relaxation times, which can be elucidated by examining the three-phonon scattering phase space. Further analysis of bond strengths reveals that the strong bonding between Fe and O impedes phonon propagation through the oxygen atoms, resulting in lower lattice thermal conductivity. Our work provides a fundamental reference for understanding thermal transport in two-dimensional MOF.

二维金属有机框架(MOF)因其具有表面积大、活性位点丰富、尺寸可调等优点而广泛应用于电子器件和储能领域。深入了解二维MOF材料的热输运特性对于这些应用至关重要。本文采用机器学习原子间势(MLIP)方法结合声子玻尔兹曼输运方程(PBTE)系统地研究了M3(C6O6)2 (M = Fe, Co, Ni)的热输运性质。结果表明:Fe3(C6O6)2、Co3(C6O6)2和Ni3(C6O6)2在室温下的晶格导热系数分别为4.0 W/mK、5.5 W/mK和5.8 W/mK;热导率的差异主要是由声子弛豫时间的变化引起的,这可以通过检查三声子散射相空间来解释。进一步的键强度分析表明,铁和氧之间的强键阻碍了声子通过氧原子的传播,导致晶格导热系数降低。我们的工作为理解二维MOF中的热输运提供了基础参考。
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引用次数: 0
Magnetic properties and electronic structure ofJeff=12square lattice quantum magnet Bi2ErO4Cl. jeff = 1/2方晶格量子磁体Bi2ErO4Cl的磁性和电子结构。
IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-04-09 DOI: 10.1088/1361-648X/adc6e5
V K Singh, Seong-Hoon Kim, K Nam, U Jena, K Boya, P Khuntia, E Kermarrec, Kee Hoon Kim, S Bhowal, B Koteswararao

Two-dimensional (2D) rare-earth-based square lattice (SL) quantum magnets provide a pathway to achieve distinctive ground states characterized by unusual excitations. We investigate the magnetic, heat capacity, structural, and electronic properties of a magnetic system Bi2ErO4Cl. This compound features a structurally ideal 2D SL composed of Er3+rare-earth magnetic ions. The single-phase polycrystalline sample was synthesized using hydrothermal, followed by a vacuum-sealed tube technique. The analysis of heat capacity and magnetic data indicates that the Er3+ion adopts aJeff=12state at low temperatures. Fitting the Curie-Weiss (CW) law to the low-temperature magnetic susceptibility data reveals a CW temperature of approximately -2.1 K, suggesting antiferromagnetic (AFM) interactions between the Er3+moments. Our first-principles calculations validate a 2D spin model relevant to the titled Er compound. The presence of AFM interaction between the Er3+ions is further confirmed using total energy calculations (DFT+U), aligning with the experimental results. The heat capacity measurements reveal the presence of magnetic long-range order belowTN= 0.47 K. The magnetic heat capacity data followsT1.8power law dependence belowTN.

二维稀土基方晶格量子磁体提供了一种途径,以实现独特的基态,其特征是不寻常的激发。我们研究了Bi2ErO4Cl磁性体系的磁性、热容量、结构和电子性质。该化合物具有由Er3+稀土磁性离子组成的理想二维方阵结构。采用水热法和真空封管法合成了单相多晶样品。热容和磁性数据分析表明,Er3+离子在低温下呈aJeff= 1/2态。将居里-魏斯定律拟合到低温磁化率数据中,发现居里-魏斯温度约为-2.1 K,表明Er3+矩之间存在反铁磁(AFM)相互作用。我们的第一性原理计算验证了与标题为Er的化合物相关的二维自旋模型。利用总能量计算(LDA+U)进一步证实了Er3+离子之间存在AFM相互作用,与实验结果一致。热容测量显示,在tn = 0.47 K以下存在磁性长程序 ;磁热容数据遵循下面的幂律关系。
{"title":"Magnetic properties and electronic structure ofJeff=12square lattice quantum magnet Bi<sub>2</sub>ErO<sub>4</sub>Cl.","authors":"V K Singh, Seong-Hoon Kim, K Nam, U Jena, K Boya, P Khuntia, E Kermarrec, Kee Hoon Kim, S Bhowal, B Koteswararao","doi":"10.1088/1361-648X/adc6e5","DOIUrl":"10.1088/1361-648X/adc6e5","url":null,"abstract":"<p><p>Two-dimensional (2D) rare-earth-based square lattice (SL) quantum magnets provide a pathway to achieve distinctive ground states characterized by unusual excitations. We investigate the magnetic, heat capacity, structural, and electronic properties of a magnetic system Bi<sub>2</sub>ErO<sub>4</sub>Cl. This compound features a structurally ideal 2D SL composed of Er<sup>3+</sup>rare-earth magnetic ions. The single-phase polycrystalline sample was synthesized using hydrothermal, followed by a vacuum-sealed tube technique. The analysis of heat capacity and magnetic data indicates that the Er<sup>3+</sup>ion adopts aJeff=12state at low temperatures. Fitting the Curie-Weiss (CW) law to the low-temperature magnetic susceptibility data reveals a CW temperature of approximately -2.1 K, suggesting antiferromagnetic (AFM) interactions between the Er<sup>3+</sup>moments. Our first-principles calculations validate a 2D spin model relevant to the titled Er compound. The presence of AFM interaction between the Er<sup>3+</sup>ions is further confirmed using total energy calculations (DFT+<i>U</i>), aligning with the experimental results. The heat capacity measurements reveal the presence of magnetic long-range order below<i>T</i><sub>N</sub>= 0.47 K. The magnetic heat capacity data follows<i>T</i><sup>1.8</sup>power law dependence below<i>T</i><sub>N</sub>.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143742966","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A primer on Kitaev model: basic aspects, material realization, and recent experiments. 基塔耶夫模型的基础:基本方面、材料实现和最近的实验。
IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-04-09 DOI: 10.1088/1361-648X/adc6e6
Saptarshi Mandal

This elementary review article is aimed to the beginning graduate students interested to know basic aspects of Kitaev model. We begin with a very lucid introduction of Kitaev model and present its exact solution, Hilbert space structure, fractionalization, spin-spin correlation function and topological degeneracy in an elementary way. We then discuss the recent proposal of realizing Kitaev interaction in certain materials. Finally we present some recent experiments done on these materials, mainly magnetization, susceptibility, specific heat and thermal Hall effect to elucidate the recent status of material realization of coveted Kitaev spin-liquid phase. We end with a brief discussion on other theoretical works on Kitaev model from different many-body aspects.

这篇初级综述文章是针对有兴趣了解基塔耶夫模型基本方面的研究生。本文首先对Kitaev模型进行了较为清晰的介绍,并对其精确解、希尔伯特空间结构、分数化、自旋-自旋相关函数和拓扑简并进行了初步的介绍。然后,我们讨论了最近在某些材料中实现基塔耶夫相互作用的建议。最后,我们介绍了近年来在这些材料上所做的一些实验,主要是磁化率、磁化率、比热和热霍尔效应,以阐明材料实现令人垂涎的基塔耶夫自旋液态的最新状况。最后,我们从不同的多体方面对基塔耶夫模型的其他理论著作进行了简要的讨论。
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引用次数: 0
Dissipationless edge transport in single-layer topological insulator Bi4Br4based device under high vacancy concentration. 高空位浓度下单层拓扑绝缘体bi4br4器件的无耗散边缘输运。
IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-04-09 DOI: 10.1088/1361-648X/adc5cf
Md Niloy Khan, Mahbub Alam

Single-layer Bismuth Monobromide (SL-Bi4Br4) is a recently experimentally confirmed room temperature quantum spin hall insulator with a relatively large bulk band gap. In this paper, we investigate the electronic properties of SL-Bi4Br4and single-layer bismuth monobromide nanoribbon (SL-Bi4Br4NR) introducing different vacancy defects near the nanoribbon edges. With maximally localized wannier function (MLWF) constructed Hamiltonian we show that SL-Bi4Br4NR edge states are protected by bulk topology and robust against disorder. In conjunction with MLWF and non-equilibrium Green's function, we also show that in devices made from SL-Bi4Br4, transmission through the topologically protected edge states do not suffer from degradation when the device is sufficiently wide. Increasing channel length and defect concentration affect only the bulk states transmission leaving edge states transmission perfectly quantized. This resilience against disorder signifies SL-Bi4Br4's promising candidacy for next-generation electronic & spintronics devices application.

单层单溴化铋(SL-Bi4Br4)是最近实验证实的具有较大体带隙的室温量子自旋霍尔绝缘体(QSHI)。本文研究了在纳米带边缘引入不同空位缺陷的SL-Bi4Br4NR和单层单溴化铋纳米带(SL-Bi4Br4NR)的电子特性。通过构造hamilton ,我们证明了SL-Bi4Br4NR边缘状态受到大块拓扑的保护,并且具有鲁棒性 ;结合MLWF和非平衡格林函数(NEGF),我们还表明,在由SL-Bi4Br4制成的器件中,当器件足够宽时,通过拓扑保护的边缘状态的传输不会受到退化。增加通道长度和缺陷浓度仅影响体态传输,使边缘状态传输完全量化。这种抗无序的韧性意味着SL-Bi4Br4有望成为下一代电子和自旋电子器件的候选材料。
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引用次数: 0
Skyrmionium dynamics and stability on one dimensional anisotropy patterns. 一维各向异性图上的Skyrmionium动力学和稳定性。
IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-04-08 DOI: 10.1088/1361-648X/adc648
J C Bellizotti Souza, N P Vizarim, C J O Reichhardt, C Reichhardt, P A Venegas

We examine a skyrmionium driven over a periodic anisotropy pattern, which consists of disorder free regions and disordered regions. For small defect densities, the skyrmionium flows for an extended range of currents, and there is a critical current above which it transforms into a skyrmion. For increased amounts of quenched disorder, the current needed for the skyrmionium to transform into a skyrmion decreases, and there is a critical disorder density above which a moving skyrmionium is not stable. In the moving state, the skyrmionium to skyrmion transformation leads to a drop in the velocity and the onset of a finite skyrmion Hall angle. We also find a reentrance effect in which the pinned skyrmionium transforms into a skyrmion just above depinning, restabilizes into skyrmionium at larger drives, and becomes unstable again at large currents. We also show that adding a transverse shaking drive can increase the lifetime of a moving skyrmionium by reducing the effect of the pinning in the direction of the drive.

我们研究了在周期性各向异性模式上驱动的skyrmionium,该模式由无序自由区和无序区组成。对于小的缺陷密度,skyrmionium流动的电流范围很广,并且存在一个临界电流,超过该电流,它就会转变为skyrmiron。对于淬灭无序量的增加,skyrmionium转变为skyrmiion所需的电流减小,并且存在一个临界无序密度,超过该密度,移动的skyrmionium就不稳定。在运动状态下,粒子与粒子之间的转换导致速度下降,产生有限的粒子霍尔角。我们还发现了一种再入效应,在这种效应中,固定的skyrmionium在脱钉上方转变为skyrmionium,在较大的驱动器中重新稳定为skyrmionium,并在大电流中再次变得不稳定。我们还表明,增加横向振动驱动器可以通过减少在驱动器方向上的钉住效应来增加移动skyrmionium的寿命。
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引用次数: 0
Spin polaron in a chiral molecule with an all quantum model. 全量子模型手性分子中的自旋极化子。
IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-04-08 DOI: 10.1088/1361-648X/adc4a7
Zhaoyang Wang, Xuan Liu, Jing Yang, Mengzhao Du, Sun Yin, Shijie Xie

Recently, the chiral induced spin selectivity (CISS) has been demonstrated in different systems such as DNA, proteins, bacteriorhodopsin, helicene and other chiral molecules. In this phenomenon, the spin of the carriers will couple with the chirality of the system and exhibit special transport properties. The explanation of the mechanisms of CISS is still under debating, but it generally accepted that the chirality-induced spin-orbit coupling and the environment play pivotal roles. In addition, in such systems with strong electron-phonon coupling, the moving electrons and holes would interact with phonons to construct polarons as carriers. Therefore, to understand CISS it is needed to focus on the spin-related transport of the polarons. In this paper, we investigate the spin-charge property of a carrier in a chiral helix molecule described with an all-quantum model. Both the extended electron and bound states are obtained analytically. Our findings indicate that the spin and momentum of these carriers are locked, with the nature of this coupling being dictated by the chirality of the system. This work provides valuable insights for theoretical investigations into nonlinear equations and contributes to a deeper understanding of chiral carriers in the context of the CISS effect. Our solution is instructive for theoretical investigation on nonlinear excitations and our results shed new light on the chiral carriers to understand CISS effect.

近年来,手性诱导自旋选择性(CISS)在DNA、蛋白质、细菌视紫红质、螺旋蛋白等手性分子体系中得到了广泛的应用。在这种现象中,载流子的自旋将与体系的手性耦合,并表现出特殊的输运性质。对CISS机理的解释仍有争议,但普遍认为手性诱导的自旋-轨道耦合和环境起关键作用。此外,在这种具有强电子-声子耦合的系统中,运动的电子和空穴会与声子相互作用,形成极化子作为载流子。因此,为了理解CISS,需要关注极化子的自旋相关输运。本文研究了用全量子模型描述的手性螺旋分子中载流子的自旋电荷性质。扩展电子态和束缚态都是解析得到的。我们的发现表明,这些载流子的自旋和动量是锁定的,这种耦合的性质是由系统的手性决定的。这项工作为非线性方程的理论研究提供了有价值的见解,并有助于在CISS效应的背景下更深入地理解手性载流子。我们的解对非线性激励的理论研究具有指导意义,我们的结果对手性载流子理解CISS效应有新的启示。
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引用次数: 0
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Journal of Physics: Condensed Matter
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