首页 > 最新文献

Physical Review X最新文献

英文 中文
Characterization and Exploitation of the Rotational Memory Effect in Multimode Fibers 多模光纤旋转记忆效应的表征与利用
IF 12.5 1区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-09-16 DOI: 10.1103/physrevx.14.031046
Rodrigo Gutiérrez-Cuevas, Arthur Goetschy, Yaron Bromberg, Guy Pelc, Esben Ravn Andresen, Laurent Bigot, Yves Quiquempois, Maroun Bsaibes, Pierre Sillard, Marianne Bigot, Ori Katz, Julien de Rosny, Sébastien M. Popoff
In an ideal perfectly straight multimode fiber with a circular core, the symmetry ensures that rotating the input wave front leads to a corresponding rotation of the output wave front. This invariant property, known as the rotational memory effect (RME), remains independent of the typically unknown output profile. The RME thus offers significant potential for imaging and telecommunication applications. However, in real-life fibers, this effect is degraded by intrinsic imperfections and external perturbations, and is challenging to observe because of its acute sensitivity to misalignments and aberrations in the optical setup. Building on a previously established method for precisely estimating fiber transmission properties, we demonstrate an accurate extraction of RME properties. Additionally, we introduce a comprehensive theoretical framework for both qualitative and quantitative analysis, which specifically links the angular-dependent correlation of the RME to the core deformation’s geometrical properties and the fiber’s mode characteristics. Our theoretical predictions align well with experimental data and simulations for various amounts of fiber distorsion. Finally, we demonstrate the ability to engineer wave fronts with significantly enhanced correlation across all rotation angles. This work enables accurate characterization of distributed disorder from the fabrication process and facilitates calibration-free imaging in multimode fibers.
在理想的具有圆形纤芯的完全笔直多模光纤中,对称性确保了输入波前的旋转会导致输出波前的相应旋转。这一不变特性被称为旋转记忆效应(RME),与通常未知的输出轮廓无关。因此,RME 为成像和电信应用提供了巨大的潜力。然而,在现实生活中的光纤中,这种效应会受到内在缺陷和外部扰动的影响,而且由于其对光学装置中的错位和像差非常敏感,因此观察起来非常困难。基于之前建立的精确估算光纤传输特性的方法,我们展示了精确提取 RME 特性的方法。此外,我们还为定性和定量分析引入了一个全面的理论框架,该框架将 RME 随角度变化的相关性与纤芯变形的几何特性和光纤的模式特性具体联系起来。我们的理论预测与各种光纤扭曲量的实验数据和模拟结果非常吻合。最后,我们展示了在所有旋转角度下设计相关性显著增强的波前的能力。这项工作能够准确表征制造过程中的分布式失调,并促进多模光纤的免校准成像。
{"title":"Characterization and Exploitation of the Rotational Memory Effect in Multimode Fibers","authors":"Rodrigo Gutiérrez-Cuevas, Arthur Goetschy, Yaron Bromberg, Guy Pelc, Esben Ravn Andresen, Laurent Bigot, Yves Quiquempois, Maroun Bsaibes, Pierre Sillard, Marianne Bigot, Ori Katz, Julien de Rosny, Sébastien M. Popoff","doi":"10.1103/physrevx.14.031046","DOIUrl":"https://doi.org/10.1103/physrevx.14.031046","url":null,"abstract":"In an ideal perfectly straight multimode fiber with a circular core, the symmetry ensures that rotating the input wave front leads to a corresponding rotation of the output wave front. This invariant property, known as the rotational memory effect (RME), remains independent of the typically unknown output profile. The RME thus offers significant potential for imaging and telecommunication applications. However, in real-life fibers, this effect is degraded by intrinsic imperfections and external perturbations, and is challenging to observe because of its acute sensitivity to misalignments and aberrations in the optical setup. Building on a previously established method for precisely estimating fiber transmission properties, we demonstrate an accurate extraction of RME properties. Additionally, we introduce a comprehensive theoretical framework for both qualitative and quantitative analysis, which specifically links the angular-dependent correlation of the RME to the core deformation’s geometrical properties and the fiber’s mode characteristics. Our theoretical predictions align well with experimental data and simulations for various amounts of fiber distorsion. Finally, we demonstrate the ability to engineer wave fronts with significantly enhanced correlation across all rotation angles. This work enables accurate characterization of distributed disorder from the fabrication process and facilitates calibration-free imaging in multimode fibers.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":null,"pages":null},"PeriodicalIF":12.5,"publicationDate":"2024-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142235123","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Dynamical Correlations and Order in Magic-Angle Twisted Bilayer Graphene 魔角扭曲双层石墨烯中的动态相关性和有序性
IF 12.5 1区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-09-11 DOI: 10.1103/physrevx.14.031045
Gautam Rai, Lorenzo Crippa, Dumitru Călugăru, Haoyu Hu, Francesca Paoletti, Luca de’ Medici, Antoine Georges, B. Andrei Bernevig, Roser Valentí, Giorgio Sangiovanni, Tim Wehling
The interplay of dynamical correlations and electronic ordering is pivotal in shaping phase diagrams of correlated quantum materials. In magic-angle twisted bilayer graphene, transport, thermodynamic, and spectroscopic experiments pinpoint a competition between distinct low-energy states with and without electronic order, as well as between localized and delocalized charge carriers. In this study, we utilize dynamical mean-field theory on the topological heavy fermion model of twisted bilayer graphene to investigate the emergence of electronic correlations and long-range order in the absence of strain. We contrast moment formation, Kondo screening, and ordering on a temperature basis and explain the nature of emergent correlated states based on three central phenomena: (i) the formation of local spin and valley isospin moments around 100 K, (ii) the ordering of the local isospin moments around 10 K preempting Kondo screening, and (iii) a cascadic redistribution of charge between localized and delocalized electronic states upon doping. At integer fillings, we find that low-energy spectral weight is depleted in the symmetric phase, while we find insulating states with gaps enhanced by exchange coupling in the zero-strain ordered phases. Doping away from integer filling results in distinct metallic states: a “bad metal” above the ordering temperature, where scattering off the disordered local moments suppresses electronic coherence, and a “good metal” in the ordered states with coherence of quasiparticles facilitated by isospin order. This finding reveals coherence from order as the microscopic mechanism behind the Pomeranchuk effect observed experimentally by Rozen et al. [Nature (London) 592, 214 (2021)] and by Saito et al. [Nature (London) 592, 220 (2021)]. Upon doping, there is a periodic charge reshuffling between localized and delocalized electronic orbitals leading to cascades of doping-induced Lifshitz transitions, local spectral weight redistributions, and periodic variations of the electronic compressibility ranging from nearly incompressible to negative. Our findings highlight the essential role of charge transfer, hybridization, and ordering in shaping the electronic excitations and thermodynamic properties in twisted bilayer graphene and provide a unified understanding of the most puzzling aspects of scanning tunneling spectroscopy, transport, and compressibility experiments.
动力学相关性和电子有序性的相互作用在形成相关量子材料的相图方面起着关键作用。在魔角扭曲双层石墨烯中,输运、热力学和光谱实验指出了有电子有序和无电子有序的不同低能态之间的竞争,以及局部电荷载流子和非局部电荷载流子之间的竞争。在本研究中,我们利用扭曲双层石墨烯拓扑重费米子模型的动态均场理论,研究了在无应变情况下电子关联和长程有序的出现。我们在温度基础上对比了矩的形成、Kondo 筛选和有序化,并根据三个核心现象解释了出现的相关态的性质:(i) 100 K 左右形成的局部自旋和谷等空间矩;(ii) 10 K 左右局部等空间矩的有序化抢先了 Kondo 筛选;(iii) 掺杂后局部和非局部电子态之间电荷的级联再分布。在整数填充时,我们发现对称相中的低能谱权重被耗尽,而在零应变有序相中,我们发现了间隙通过交换耦合而增强的绝缘态。远离整数填充的掺杂会导致截然不同的金属态:在有序温度之上的 "坏金属",无序局部矩的散射抑制了电子相干性;而在有序态中的 "好金属",等空间有序促进了准粒子的相干性。这一发现揭示了 Rozen 等人[《自然》(伦敦)592, 214 (2021)]和 Saito 等人[《自然》(伦敦)592, 220 (2021)]在实验中观察到的波美兰丘克效应背后的微观机制--有序相干性。掺杂后,局部电子轨道和非局部电子轨道之间会出现周期性的电荷重组,从而导致掺杂诱导的级联利夫希茨跃迁、局部光谱重量重新分布以及电子可压缩性的周期性变化(从几乎不可压缩到负可压缩)。我们的发现凸显了电荷转移、杂化和有序化在形成扭曲双层石墨烯的电子激发和热力学性质中的重要作用,并为扫描隧道光谱、传输和可压缩性实验中最令人困惑的方面提供了统一的理解。
{"title":"Dynamical Correlations and Order in Magic-Angle Twisted Bilayer Graphene","authors":"Gautam Rai, Lorenzo Crippa, Dumitru Călugăru, Haoyu Hu, Francesca Paoletti, Luca de’ Medici, Antoine Georges, B. Andrei Bernevig, Roser Valentí, Giorgio Sangiovanni, Tim Wehling","doi":"10.1103/physrevx.14.031045","DOIUrl":"https://doi.org/10.1103/physrevx.14.031045","url":null,"abstract":"The interplay of dynamical correlations and electronic ordering is pivotal in shaping phase diagrams of correlated quantum materials. In magic-angle twisted bilayer graphene, transport, thermodynamic, and spectroscopic experiments pinpoint a competition between distinct low-energy states with and without electronic order, as well as between localized and delocalized charge carriers. In this study, we utilize dynamical mean-field theory on the topological heavy fermion model of twisted bilayer graphene to investigate the emergence of electronic correlations and long-range order in the absence of strain. We contrast moment formation, Kondo screening, and ordering on a temperature basis and explain the nature of emergent correlated states based on three central phenomena: (i) the formation of local spin and valley isospin moments around 100 K, (ii) the ordering of the local isospin moments around 10 K preempting Kondo screening, and (iii) a cascadic redistribution of charge between localized and delocalized electronic states upon doping. At integer fillings, we find that low-energy spectral weight is depleted in the symmetric phase, while we find insulating states with gaps enhanced by exchange coupling in the zero-strain ordered phases. Doping away from integer filling results in distinct metallic states: a “bad metal” above the ordering temperature, where scattering off the disordered local moments suppresses electronic coherence, and a “good metal” in the ordered states with coherence of quasiparticles facilitated by isospin order. This finding reveals coherence from order as the microscopic mechanism behind the Pomeranchuk effect observed experimentally by Rozen <i>et al.</i> [<span>Nature (London)</span> <b>592</b>, 214 (2021)] and by Saito <i>et al.</i> [<span>Nature (London)</span> <b>592</b>, 220 (2021)]. Upon doping, there is a periodic charge reshuffling between localized and delocalized electronic orbitals leading to cascades of doping-induced Lifshitz transitions, local spectral weight redistributions, and periodic variations of the electronic compressibility ranging from nearly incompressible to negative. Our findings highlight the essential role of charge transfer, hybridization, and ordering in shaping the electronic excitations and thermodynamic properties in twisted bilayer graphene and provide a unified understanding of the most puzzling aspects of scanning tunneling spectroscopy, transport, and compressibility experiments.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":null,"pages":null},"PeriodicalIF":12.5,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142170820","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Mixed-State Quantum Phases: Renormalization and Quantum Error Correction 混合态量子相:重正化和量子纠错
IF 12.5 1区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-09-10 DOI: 10.1103/physrevx.14.031044
Shengqi Sang, Yijian Zou, Timothy H. Hsieh
Open system quantum dynamics can generate a variety of long-range entangled mixed states, yet it has been unclear in what sense they constitute phases of matter. To establish that two mixed states are in the same phase, as defined by their two-way connectivity via local quantum channels, we use the renormalization group (RG) and decoders of quantum error correcting codes. We introduce a real-space RG scheme for mixed states based on local channels which ideally preserve correlations with the complementary system, and we prove this is equivalent to the reversibility of the channel’s action. As an application, we demonstrate an exact RG flow of finite temperature toric code in two dimensions to infinite temperature, thus proving it is in the trivial phase. In contrast, for toric code subject to local dephasing, we establish a mixed-state toric code phase using local channels obtained by truncating an RG-type decoder and the minimum weight perfect matching decoder. We also discover a precise relation between mixed-state phase and decodability, by proving that local noise acting on toric code cannot destroy logical information without bringing the state out of the toric code phase.
开放系统量子动力学可以产生各种长程纠缠混合态,但它们在何种意义上构成物质相却一直不清楚。为了确定两个混合态处于同一相位(由它们通过局部量子通道的双向连通性定义),我们使用了重正化群(RG)和量子纠错码的解码器。我们引入了一种基于局部通道的混合态实空间 RG 方案,该方案在理想情况下保持了与互补系统的相关性,我们证明这等同于通道作用的可逆性。作为应用,我们演示了有限温度环形编码在二维到无限温度的精确 RG 流,从而证明它处于三相阶段。相反,对于受局部去相的环形码,我们利用截断 RG 型解码器和最小权重完全匹配解码器得到的局部信道,建立了混合状态环形码阶段。我们还发现了混合状态相位与可解码性之间的精确关系,证明了作用于环形码的局部噪声不会破坏逻辑信息,也不会使状态脱离环形码相位。
{"title":"Mixed-State Quantum Phases: Renormalization and Quantum Error Correction","authors":"Shengqi Sang, Yijian Zou, Timothy H. Hsieh","doi":"10.1103/physrevx.14.031044","DOIUrl":"https://doi.org/10.1103/physrevx.14.031044","url":null,"abstract":"Open system quantum dynamics can generate a variety of long-range entangled mixed states, yet it has been unclear in what sense they constitute phases of matter. To establish that two mixed states are in the same phase, as defined by their two-way connectivity via local quantum channels, we use the renormalization group (RG) and decoders of quantum error correcting codes. We introduce a real-space RG scheme for mixed states based on local channels which ideally preserve correlations with the complementary system, and we prove this is equivalent to the reversibility of the channel’s action. As an application, we demonstrate an exact RG flow of finite temperature toric code in two dimensions to infinite temperature, thus proving it is in the trivial phase. In contrast, for toric code subject to local dephasing, we establish a mixed-state toric code phase using local channels obtained by truncating an RG-type decoder and the minimum weight perfect matching decoder. We also discover a precise relation between mixed-state phase and decodability, by proving that local noise acting on toric code cannot destroy logical information without bringing the state out of the toric code phase.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":null,"pages":null},"PeriodicalIF":12.5,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142160421","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Continuous Coherent Quantum Feedback with Time Delays: Tensor Network Solution 具有时间延迟的连续相干量子反馈:张量网络解决方案
IF 12.5 1区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-09-09 DOI: 10.1103/physrevx.14.031043
Kseniia Vodenkova, Hannes Pichler
In this paper, we develop a novel method to solve problems involving quantum optical systems coupled to coherent quantum feedback loops featuring time delays. Our method is based on exact mappings of such non-Markovian problems to equivalent Markovian driven dissipative quantum many-body problems. In this work, we show that the resulting Markovian quantum many-body problems can be solved (numerically) exactly and efficiently using tensor network methods for a series of paradigmatic examples, consisting of driven quantum systems coupled to waveguides at several distant points. In particular, we show that our method allows solving problems in so far inaccessible regimes, including problems with arbitrary long time delays and arbitrary numbers of excitations in the delay lines. We obtain solutions for the full real-time dynamics as well as the steady state in all these regimes. Finally, motivated by our results, we develop a novel mean-field approach, which allows us to find the solution semianalytically, and we identify parameter regimes where this approximation is in excellent agreement with our tensor network results.
在本文中,我们开发了一种新方法来解决涉及与具有时间延迟特征的相干量子反馈回路耦合的量子光学系统的问题。我们的方法基于此类非马尔可夫问题与等效马尔可夫驱动耗散量子多体问题的精确映射。在这项工作中,我们展示了所产生的马尔可夫量子多体问题可以用张量网络方法精确、高效地求解(数值),求解的一系列范例包括在几个远点耦合到波导的驱动量子系统。我们特别指出,我们的方法可以解决迄今为止无法解决的问题,包括具有任意长时间延迟和延迟线中任意数量激励的问题。我们获得了所有这些状态下的全实时动态和稳态的解。最后,在我们研究结果的激励下,我们开发了一种新颖的平均场方法,它允许我们以半解析的方式求解,并且我们确定了这种近似方法与我们的张量网络结果非常一致的参数区。
{"title":"Continuous Coherent Quantum Feedback with Time Delays: Tensor Network Solution","authors":"Kseniia Vodenkova, Hannes Pichler","doi":"10.1103/physrevx.14.031043","DOIUrl":"https://doi.org/10.1103/physrevx.14.031043","url":null,"abstract":"In this paper, we develop a novel method to solve problems involving quantum optical systems coupled to coherent quantum feedback loops featuring time delays. Our method is based on exact mappings of such non-Markovian problems to equivalent Markovian driven dissipative quantum many-body problems. In this work, we show that the resulting Markovian quantum many-body problems can be solved (numerically) exactly and efficiently using tensor network methods for a series of paradigmatic examples, consisting of driven quantum systems coupled to waveguides at several distant points. In particular, we show that our method allows solving problems in so far inaccessible regimes, including problems with arbitrary long time delays and arbitrary numbers of excitations in the delay lines. We obtain solutions for the full real-time dynamics as well as the steady state in all these regimes. Finally, motivated by our results, we develop a novel mean-field approach, which allows us to find the solution semianalytically, and we identify parameter regimes where this approximation is in excellent agreement with our tensor network results.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":null,"pages":null},"PeriodicalIF":12.5,"publicationDate":"2024-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142158691","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Electric Field of DNA in Solution: Who Is in Charge? 溶液中 DNA 的电场:谁说了算?
IF 12.5 1区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-09-05 DOI: 10.1103/physrevx.14.031042
Jonathan G. Hedley, Kush Coshic, Aleksei Aksimentiev, Alexei A. Kornyshev
In solution, DNA, the “most important molecule of life,” is a highly charged macromolecule that bears a unit of negative charge on each phosphate of its sugar-phosphate backbone. Although partially compensated by counterions (cations of the solution) adsorbed at or condensed near it, DNA still produces a substantial electric field in its vicinity, which is screened by buffer electrolytes at longer distances from the DNA. This electric field is experienced by any charged or dipolar species approaching and interacting with the DNA. So far, such a field has been explored predominantly within the scope of a primitive model of the electrolytic solution, not considering more complicated structural effects of the water solvent. In this paper, we investigate the distribution of electric field around DNA using linear response nonlocal electrostatic theory, applied here for helix-specific charge distributions, and compare the predictions of such a theory with specially performed, fully atomistic, large-scale, molecular dynamics simulations. Both approaches are applied to unravel the role of the structure of water at close distances to and within the grooves of a DNA molecule in the formation of the electric field. As predicted by the theory and reported by the simulations, the main finding of this study is that oscillations in the electrostatic potential distribution are present around DNA, caused by the overscreening effect of structured water. Surprisingly, electrolyte ions at physiological concentrations do not strongly disrupt these oscillations and are rather distributed according to these oscillating patterns, indicating that water structural effects dominate the short-range electrostatics. We also show that (i) structured water adsorbed in the grooves of DNA leads to a positive electrostatic potential core relative to the bulk, (ii) the Debye length some 10 Å away from the DNA surface is reduced, effectively renormalized by the helical pitch of the DNA molecule, and (iii) Lorentzian contributions to the nonlocal dielectric function of water, effectively reducing the dielectric constant close to the DNA surface, enhance the overall electric field. The impressive agreement between the atomistic simulations and the developed theory substantiates the use of nonlocal electrostatics when considering solvent effects in molecular processes in biology.
在溶液中,"生命中最重要的分子 "DNA 是一种高电荷大分子,其糖-磷酸骨架的每个磷酸根都带有一个单位的负电荷。尽管 DNA 被吸附在其上或在其附近凝结的反离子(溶液中的阳离子)部分补偿,但仍会在其附近产生一个巨大的电场,该电场被距离 DNA 较远的缓冲电解质所屏蔽。任何接近 DNA 并与之相互作用的带电或偶极物种都会感受到这种电场。迄今为止,人们主要是在电解溶液的原始模型范围内探索这种电场,而没有考虑水溶剂更复杂的结构效应。在本文中,我们利用线性响应非局部静电理论研究了 DNA 周围的电场分布,并将这种理论的预测结果与专门进行的完全原子化的大规模分子动力学模拟进行了比较。这两种方法都用于揭示 DNA 分子沟槽内近距离水的结构在电场形成中的作用。正如理论所预测和模拟所报告的那样,本研究的主要发现是 DNA 周围存在静电势分布振荡,这是由于结构水的超屏蔽效应造成的。令人惊讶的是,生理浓度的电解质离子并没有强烈干扰这些振荡,而是按照这些振荡模式分布,这表明水的结构效应主导了短程静电。我们还表明:(i) DNA 沟槽中吸附的结构水导致了相对于主体的正静电位核;(ii) 距离 DNA 表面约 10 Å 的德拜长度减小了,这实际上是 DNA 分子螺旋间距的重新规范化;(iii) 水的非局部介电函数的洛伦兹贡献有效地减小了靠近 DNA 表面的介电常数,从而增强了整体电场。原子模拟与所建立的理论之间令人印象深刻的一致性证明,在考虑生物分子过程中的溶剂效应时,可以使用非局部静电。
{"title":"Electric Field of DNA in Solution: Who Is in Charge?","authors":"Jonathan G. Hedley, Kush Coshic, Aleksei Aksimentiev, Alexei A. Kornyshev","doi":"10.1103/physrevx.14.031042","DOIUrl":"https://doi.org/10.1103/physrevx.14.031042","url":null,"abstract":"In solution, DNA, the “most important molecule of life,” is a highly charged macromolecule that bears a unit of negative charge on each phosphate of its sugar-phosphate backbone. Although partially compensated by counterions (cations of the solution) adsorbed at or condensed near it, DNA still produces a substantial electric field in its vicinity, which is screened by buffer electrolytes at longer distances from the DNA. This electric field is experienced by any charged or dipolar species approaching and interacting with the DNA. So far, such a field has been explored predominantly within the scope of a primitive model of the electrolytic solution, not considering more complicated structural effects of the water solvent. In this paper, we investigate the distribution of electric field around DNA using linear response nonlocal electrostatic theory, applied here for helix-specific charge distributions, and compare the predictions of such a theory with specially performed, fully atomistic, large-scale, molecular dynamics simulations. Both approaches are applied to unravel the role of the structure of water at close distances to and within the grooves of a DNA molecule in the formation of the electric field. As predicted by the theory and reported by the simulations, the main finding of this study is that oscillations in the electrostatic potential distribution are present around DNA, caused by the overscreening effect of structured water. Surprisingly, electrolyte ions at physiological concentrations do not strongly disrupt these oscillations and are rather distributed according to these oscillating patterns, indicating that water structural effects dominate the short-range electrostatics. We also show that (i) structured water adsorbed in the grooves of DNA leads to a positive electrostatic potential core relative to the bulk, (ii) the Debye length some 10 Å away from the DNA surface is reduced, effectively renormalized by the helical pitch of the DNA molecule, and (iii) Lorentzian contributions to the nonlocal dielectric function of water, effectively reducing the dielectric constant close to the DNA surface, enhance the overall electric field. The impressive agreement between the atomistic simulations and the developed theory substantiates the use of nonlocal electrostatics when considering solvent effects in molecular processes in biology.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":null,"pages":null},"PeriodicalIF":12.5,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142137955","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
How to Measure the Controllability of an Infectious Disease? 如何衡量传染病的可控性?
IF 12.5 1区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-09-04 DOI: 10.1103/physrevx.14.031041
Kris V. Parag
Quantifying how difficult it is to control an emerging infectious disease is crucial to public health decision-making, providing valuable evidence on if targeted interventions, e.g., quarantine and isolation, can contain spread or when population wide controls, e.g., lockdowns, are warranted. The disease reproduction number R or growth rate r are universally assumed to measure controllability because R=1 and r=0 define when infections stop growing and hence the state of critical stability. Outbreaks with larger R or r are therefore interpreted as less controllable and requiring more stringent interventions. We prove this common interpretation is impractical and incomplete. We identify a positive feedback loop among infections intrinsically underlying disease transmission and evaluate controllability from how interventions disrupt this loop. The epidemic gain and delay margins, which, respectively, define how much we can scale infections (this scaling is known as gain) or delay interventions on this loop before stability is lost, provide rigorous measures of controllability. Outbreaks with smaller margins necessitate more control effort. Using these margins, we quantify how presymptomatic spread, surveillance limitations, variant dynamics, and superspreading shape controllability and demonstrate that R and r measure controllability only when interventions do not alter timings between the infections and are implemented without delay. Our margins are easily computed, interpreted, and reflect complex relationships among interventions, their implementation, and epidemiological dynamics.
量化控制新发传染病的难度对于公共卫生决策至关重要,它提供了有价值的证据,说明检疫和隔离等有针对性的干预措施是否能遏制传播,或何时需要进行全人群控制,如封锁。疾病繁殖数 R 或增长率 r 被普遍假定为衡量可控性的指标,因为 R=1 和 r=0 定义了感染停止增长的时间,也就是临界稳定状态。因此,R 或 r 越大的疫情被解释为可控性越差,需要更严格的干预措施。我们证明了这种常见的解释是不切实际和不全面的。我们确定了疾病传播内在的感染之间的正反馈循环,并从干预措施如何破坏这一循环来评估可控性。流行病增益边际和延迟边际分别定义了在失去稳定性之前,我们能在多大程度上扩大感染规模(这种扩大被称为增益)或延迟对这一循环的干预,它们为可控性提供了严格的衡量标准。裕度越小的疫情爆发越需要更多的控制努力。利用这些边际值,我们量化了无症状传播、监控限制、变异动态和超级传播是如何影响可控性的,并证明只有当干预措施不改变感染之间的时间间隔且无延迟实施时,R 和 r 才能衡量可控性。我们的边际值易于计算和解释,并能反映干预措施、其实施和流行病学动态之间的复杂关系。
{"title":"How to Measure the Controllability of an Infectious Disease?","authors":"Kris V. Parag","doi":"10.1103/physrevx.14.031041","DOIUrl":"https://doi.org/10.1103/physrevx.14.031041","url":null,"abstract":"Quantifying how difficult it is to control an emerging infectious disease is crucial to public health decision-making, providing valuable evidence on if targeted interventions, e.g., quarantine and isolation, can contain spread or when population wide controls, e.g., lockdowns, are warranted. The disease reproduction number <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>R</mi></math> or growth rate <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>r</mi></math> are universally assumed to measure controllability because <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>R</mi><mo>=</mo><mn>1</mn></mrow></math> and <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>r</mi><mo>=</mo><mn>0</mn></mrow></math> define when infections stop growing and hence the state of critical stability. Outbreaks with larger <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>R</mi></math> or <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>r</mi></math> are therefore interpreted as less controllable and requiring more stringent interventions. We prove this common interpretation is impractical and incomplete. We identify a positive feedback loop among infections intrinsically underlying disease transmission and evaluate controllability from how interventions disrupt this loop. The epidemic gain and delay margins, which, respectively, define how much we can scale infections (this scaling is known as gain) or delay interventions on this loop before stability is lost, provide rigorous measures of controllability. Outbreaks with smaller margins necessitate more control effort. Using these margins, we quantify how presymptomatic spread, surveillance limitations, variant dynamics, and superspreading shape controllability and demonstrate that <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>R</mi></math> and <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>r</mi></math> measure controllability only when interventions do not alter timings between the infections and are implemented without delay. Our margins are easily computed, interpreted, and reflect complex relationships among interventions, their implementation, and epidemiological dynamics.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":null,"pages":null},"PeriodicalIF":12.5,"publicationDate":"2024-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142130657","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Observation of Pairwise Level Degeneracies and the Quantum Regime of the Arrhenius Law in a Double-Well Parametric Oscillator 双阱参量振荡器中的成对电平退变性和阿伦尼乌斯定律的量子态观测
IF 12.5 1区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-09-03 DOI: 10.1103/physrevx.14.031040
Nicholas E. Frattini, Rodrigo G. Cortiñas, Jayameenakshi Venkatraman, Xu Xiao, Qile Su, Chan U. Lei, Benjamin J. Chapman, Vidul R. Joshi, S. M. Girvin, Robert J. Schoelkopf, Shruti Puri, Michel H. Devoret
By applying a microwave drive to a specially designed Josephson circuit, we have realized a double-well model system: a Kerr oscillator submitted to a squeezing force. We have observed, for the first time, the spectroscopic fingerprint of a quantum double-well Hamiltonian when its barrier height is increased: a pairwise level kissing (coalescence) corresponding to the exponential reduction of tunnel splitting in the excited states as they sink under the barrier. The discrete levels in the wells also manifest themselves in the activation time across the barrier which, instead of increasing smoothly as a function of the barrier height, presents steps each time a pair of excited states is captured by the wells. This experiment illustrates the quantum regime of Arrhenius’s law, whose observation is made possible here by the unprecedented combination of low dissipation, time-resolved state control, 98.5% quantum nondemolition single shot measurement fidelity, and complete microwave control over all Hamiltonian parameters in the quantum regime. Direct applications to quantum computation and simulation are discussed.
通过对专门设计的约瑟夫森电路施加微波驱动,我们实现了一个双阱模型系统:一个受挤压力作用的克尔振荡器。我们首次观察到了量子双阱哈密顿的光谱指纹,当其势垒高度增加时:激发态在势垒下沉时,与隧道分裂的指数减少相对应的成对水平亲吻(凝聚)。井中的离散能级还表现在穿越势垒的活化时间上,它不是作为势垒高度的函数平滑增加,而是每当一对激发态被井捕获时就会出现阶跃。这一实验说明了阿伦尼乌斯定律的量子机制,而低耗散、时间分辨状态控制、98.5% 的量子非拆迁单次测量保真度以及对量子机制中所有哈密顿参数的完全微波控制等前所未有的组合使这一观察成为可能。本文讨论了量子计算和模拟的直接应用。
{"title":"Observation of Pairwise Level Degeneracies and the Quantum Regime of the Arrhenius Law in a Double-Well Parametric Oscillator","authors":"Nicholas E. Frattini, Rodrigo G. Cortiñas, Jayameenakshi Venkatraman, Xu Xiao, Qile Su, Chan U. Lei, Benjamin J. Chapman, Vidul R. Joshi, S. M. Girvin, Robert J. Schoelkopf, Shruti Puri, Michel H. Devoret","doi":"10.1103/physrevx.14.031040","DOIUrl":"https://doi.org/10.1103/physrevx.14.031040","url":null,"abstract":"By applying a microwave drive to a specially designed Josephson circuit, we have realized a double-well model system: a Kerr oscillator submitted to a squeezing force. We have observed, for the first time, the spectroscopic fingerprint of a quantum double-well Hamiltonian when its barrier height is increased: a pairwise level kissing (coalescence) corresponding to the exponential reduction of tunnel splitting in the excited states as they sink under the barrier. The discrete levels in the wells also manifest themselves in the activation time across the barrier which, instead of increasing smoothly as a function of the barrier height, presents steps each time a pair of excited states is captured by the wells. This experiment illustrates the quantum regime of Arrhenius’s law, whose observation is made possible here by the unprecedented combination of low dissipation, time-resolved state control, 98.5% quantum nondemolition single shot measurement fidelity, and complete microwave control over all Hamiltonian parameters in the quantum regime. Direct applications to quantum computation and simulation are discussed.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":null,"pages":null},"PeriodicalIF":12.5,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142123677","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Enumeration of Spin-Space Groups: Toward a Complete Description of Symmetries of Magnetic Orders 自旋空间群枚举:磁序对称性的完整描述
IF 12.5 1区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-08-28 DOI: 10.1103/physrevx.14.031039
Yi Jiang, Ziyin Song, Tiannian Zhu, Zhong Fang, Hongming Weng, Zheng-Xin Liu, Jian Yang, Chen Fang
Symmetries of three-dimensional periodic scalar fields are described by 230 space groups (SGs). Symmetries of three-dimensional periodic (pseudo)vector fields, however, are described by the spin-space groups (SSGs), which were initially used to describe the symmetries of magnetic orders. In SSGs, the real-space and spin degrees of freedom are unlocked in the sense that an operation could have different spatial and spin rotations. SSGs give a complete symmetry description of magnetic structures and have natural applications in the band theory of itinerary electrons in magnetically ordered systems with weak spin-orbit coupling. Altermagnetism, a concept raised recently that belongs to the symmetry-compensated collinear magnetic orders but has nonrelativistic spin plitting, is well described by SSGs. Because of the vast number and complicated group structures, SSGs have not yet been systematically enumerated. In this work, we exhaust SSGs based on the invariant subgroups of SGs, with spin operations constructed from three-dimensional (3D) real representations of the quotient groups for the invariant subgroups. For collinear and coplanar magnetic orders, the spin operations can be reduced into lower-dimensional real representations. As the number of SSGs is infinite, we consider only SSGs that describe magnetic unit cells up to 12 times crystal unit cells. We obtain 157 289 noncoplanar, 24 788 coplanar-noncollinear, and 1421 collinear SSGs. The enumerated SSGs are stored in an online database with a user-friendly interface. We develop an algorithm to identify SSGs for realistic materials and find SSGs for 1626 magnetic materials. We also discuss several potential applications of SSGs, including the representation theory, topological states protected by SSGs, structures of spin textures, and refinement of magnetic neutron diffraction patterns using SSGs. Our results serve as a solid starting point for further studies of symmetry and topology in magnetically ordered materials.
三维周期标量场的对称性由 230 个空间群(SGs)描述。三维周期(伪)矢量场的对称性则由自旋空间群(SSGs)描述,SSGs 最初用于描述磁序的对称性。在自旋空间群中,实空间和自旋自由度是解锁的,即一个操作可以有不同的空间和自旋旋转。SSG 给出了磁性结构的完整对称性描述,并自然地应用于具有弱自旋轨道耦合的磁有序系统中行程电子的带理论。近来提出的另一种磁性概念属于对称补偿的对偶磁序,但具有非相对论性的自旋分裂,SSG 对其进行了很好的描述。由于 SSGs 数量庞大、群结构复杂,我们尚未对其进行系统列举。在这项工作中,我们以 SG 的不变子群为基础,利用不变子群的商群的三维(3D)实表示构建的自旋运算,穷举了 SSG。对于共线和共面磁阶,自旋运算可以简化为低维实数表示。由于固态子群的数量是无限的,我们只考虑描述最大为 12 倍晶体单元的磁单元的固态子群。我们得到了 157 289 个非共面 SSG、24 788 个共面-非共线 SSG 和 1421 个共线 SSG。枚举出的 SSG 保存在一个用户界面友好的在线数据库中。我们开发了一种算法来识别现实材料的 SSG,并找到了 1626 种磁性材料的 SSG。我们还讨论了 SSGs 的几种潜在应用,包括表示理论、SSGs 保护的拓扑状态、自旋纹理结构以及使用 SSGs 对磁中子衍射图样进行细化。我们的研究结果为进一步研究磁有序材料的对称性和拓扑结构提供了一个坚实的起点。
{"title":"Enumeration of Spin-Space Groups: Toward a Complete Description of Symmetries of Magnetic Orders","authors":"Yi Jiang, Ziyin Song, Tiannian Zhu, Zhong Fang, Hongming Weng, Zheng-Xin Liu, Jian Yang, Chen Fang","doi":"10.1103/physrevx.14.031039","DOIUrl":"https://doi.org/10.1103/physrevx.14.031039","url":null,"abstract":"Symmetries of three-dimensional periodic scalar fields are described by 230 space groups (SGs). Symmetries of three-dimensional periodic (pseudo)vector fields, however, are described by the spin-space groups (SSGs), which were initially used to describe the symmetries of magnetic orders. In SSGs, the real-space and spin degrees of freedom are unlocked in the sense that an operation could have different spatial and spin rotations. SSGs give a complete symmetry description of magnetic structures and have natural applications in the band theory of itinerary electrons in magnetically ordered systems with weak spin-orbit coupling. <i>Altermagnetism</i>, a concept raised recently that belongs to the symmetry-compensated collinear magnetic orders but has nonrelativistic spin plitting, is well described by SSGs. Because of the vast number and complicated group structures, SSGs have not yet been systematically enumerated. In this work, we exhaust SSGs based on the invariant subgroups of SGs, with spin operations constructed from three-dimensional (3D) real representations of the quotient groups for the invariant subgroups. For collinear and coplanar magnetic orders, the spin operations can be reduced into lower-dimensional real representations. As the number of SSGs is infinite, we consider only SSGs that describe magnetic unit cells up to 12 times crystal unit cells. We obtain 157 289 noncoplanar, 24 788 coplanar-noncollinear, and 1421 collinear SSGs. The enumerated SSGs are stored in an online database with a user-friendly interface. We develop an algorithm to identify SSGs for realistic materials and find SSGs for 1626 magnetic materials. We also discuss several potential applications of SSGs, including the representation theory, topological states protected by SSGs, structures of spin textures, and refinement of magnetic neutron diffraction patterns using SSGs. Our results serve as a solid starting point for further studies of symmetry and topology in magnetically ordered materials.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":null,"pages":null},"PeriodicalIF":12.5,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142089989","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Enumeration and Representation Theory of Spin Space Groups 自旋空间群的枚举和表示理论
IF 12.5 1区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-08-28 DOI: 10.1103/physrevx.14.031038
Xiaobing Chen, Jun Ren, Yanzhou Zhu, Yutong Yu, Ao Zhang, Pengfei Liu, Jiayu Li, Yuntian Liu, Caiheng Li, Qihang Liu
Fundamental physical properties, such as phase transitions, electronic structures, and spin excitations, in all magnetic ordered materials, were ultimately believed to rely on the symmetry theory of magnetic space groups. Recently, it has come to light that a more comprehensive group, known as the spin space group (SSG), which combines separate spin and spatial operations, is necessary to fully characterize the geometry and underlying properties of magnetic ordered materials. However, the basic theory of SSG has seldom been developed. In this work, we present a systematic study of the enumeration and the representation theory of the SSG. Starting from the 230 crystallographic space groups and finite translation groups with a maximum order of eight, we establish an extensive collection of over 100 000 SSGs under a four-index nomenclature as well as international notation. We then identify inequivalent SSGs specifically applicable to collinear, coplanar, and noncoplanar magnetic configurations. To facilitate the identification of the SSG, we develop an online program that can determine the SSG symmetries of any magnetic ordered crystal. Moreover, we derive the irreducible corepresentations of the little group in momentum space within the SSG framework. Finally, we illustrate the SSG symmetries and physical effects beyond the framework of magnetic space groups through several representative material examples, including a candidate altermagnet RuO2, spiral spin polarization in the coplanar antiferromagnet CeAuAl3, and geometric Hall effect in the noncoplanar antiferromagnet CoNb3S6. Our work advances the field of group theory in describing magnetic ordered materials, opening up avenues for deeper comprehension and further exploration of emergent phenomena in magnetic materials.
人们最终认为,所有磁有序材料的基本物理特性,如相变、电子结构和自旋激发,都依赖于磁空间群的对称理论。最近,人们发现,要全面描述磁性有序材料的几何形状和基本性质,需要一个更全面的群,即自旋空间群(SSG),它结合了独立的自旋和空间运算。然而,自旋空间群的基本理论却鲜有发展。在这项工作中,我们对 SSG 的枚举和表示理论进行了系统研究。从 230 个晶体学空间群和最大阶数为 8 的有限平移群开始,我们用四索引命名法和国际符号建立了超过 100 000 个 SSG 的广泛集合。然后,我们确定了专门适用于共面、共面和非共面磁构型的不等价 SSG。为了便于识别 SSG,我们开发了一个在线程序,可以确定任何磁有序晶体的 SSG 对称性。此外,我们还在 SSG 框架内推导出了小群在动量空间中的不可还原核表示。最后,我们通过几个具有代表性的材料实例来说明 SSG 对称性和磁性空间群框架之外的物理效应,包括候选另一磁体 RuO2、共面反铁磁体 CeAuAl3 中的螺旋自旋极化以及非共面反铁磁体 CoNb3S6 中的几何霍尔效应。我们的工作推进了描述磁性有序材料的群论领域,为深入理解和进一步探索磁性材料中的新现象开辟了途径。
{"title":"Enumeration and Representation Theory of Spin Space Groups","authors":"Xiaobing Chen, Jun Ren, Yanzhou Zhu, Yutong Yu, Ao Zhang, Pengfei Liu, Jiayu Li, Yuntian Liu, Caiheng Li, Qihang Liu","doi":"10.1103/physrevx.14.031038","DOIUrl":"https://doi.org/10.1103/physrevx.14.031038","url":null,"abstract":"Fundamental physical properties, such as phase transitions, electronic structures, and spin excitations, in all magnetic ordered materials, were ultimately believed to rely on the symmetry theory of magnetic space groups. Recently, it has come to light that a more comprehensive group, known as the spin space group (SSG), which combines separate spin and spatial operations, is necessary to fully characterize the geometry and underlying properties of magnetic ordered materials. However, the basic theory of SSG has seldom been developed. In this work, we present a systematic study of the enumeration and the representation theory of the SSG. Starting from the 230 crystallographic space groups and finite translation groups with a maximum order of eight, we establish an extensive collection of over 100 000 SSGs under a four-index nomenclature as well as international notation. We then identify inequivalent SSGs specifically applicable to collinear, coplanar, and noncoplanar magnetic configurations. To facilitate the identification of the SSG, we develop an online program that can determine the SSG symmetries of any magnetic ordered crystal. Moreover, we derive the irreducible corepresentations of the little group in momentum space within the SSG framework. Finally, we illustrate the SSG symmetries and physical effects beyond the framework of magnetic space groups through several representative material examples, including a candidate altermagnet <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><msub><mrow><mi>RuO</mi></mrow><mn>2</mn></msub></mrow></math>, spiral spin polarization in the coplanar antiferromagnet <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><msub><mrow><mi>CeAuAl</mi></mrow><mrow><mn>3</mn></mrow></msub></mrow></math>, and geometric Hall effect in the noncoplanar antiferromagnet <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><msub><mrow><mi>CoNb</mi></mrow><mn>3</mn></msub><msub><mi mathvariant=\"normal\">S</mi><mn>6</mn></msub></mrow></math>. Our work advances the field of group theory in describing magnetic ordered materials, opening up avenues for deeper comprehension and further exploration of emergent phenomena in magnetic materials.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":null,"pages":null},"PeriodicalIF":12.5,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142089991","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Spin Space Groups: Full Classification and Applications 自旋空间群:完整分类与应用
IF 12.5 1区 物理与天体物理 Q1 PHYSICS, MULTIDISCIPLINARY Pub Date : 2024-08-28 DOI: 10.1103/physrevx.14.031037
Zhenyu Xiao, Jianzhou Zhao, Yanqi Li, Ryuichi Shindou, Zhi-Da Song
In this work, we exhaust all the spin space symmetries, which fully characterize collinear, noncollinear, and commensurate spiral as well as incommensurate spiral magnetism, etc., and investigate enriched features of electronic bands that respect these symmetries. We achieve this by systematically classifying the so-called spin space groups (SSGs)—joint symmetry groups of spatial and spin operations that leave the magnetic structure unchanged. Generally speaking, they are accurate (approximate) symmetries in systems where spin-orbit coupling (SOC) is negligible (finite but weaker than the energy scale of interest), but we also show that specific SSGs could remain valid even in the presence of strong SOC. In recent years, SSGs have played increasingly pivotal roles in various fields such as altermagnetism, topological electronic states, and topological magnon, etc. However, due to its complexity, a complete SSG classification has not been completed up to now. By representing the SSGs as O(N) representations, we—for the first time—obtain the complete classifications of 1421, 9542, and 56 512 distinct SSGs for collinear (N=1), coplanar (N=2), and noncoplanar (N=3) magnetism, respectively. SSG not only fully characterizes the symmetry of spin degrees of freedom, but also gives rise to exotic electronic states, which, in general, form projective representations of magnetic space groups (MSGs). Surprisingly, electronic bands in SSGs exhibit features never seen in MSGs, such as (i) nonsymmorphic SSG Brillouin zone, where SSG operations behave as a glide or screw when acting on momentum, (ii) effective π flux, where translation operators anticommute with each other and yield duplicate bands, (iii) higher-dimensional representations unexplained by MSGs, and (iv) unconventional spin texture on a Fermi surface, which is completely determined by SSGs, independent of Hamiltonian details. To apply our theory, we identify the SSG for each of the 1595 published magnetic structures in the MAGNDATA database on the Bilbao Crystallographic Server. Material examples exhibiting the novel features (i)–(iv) are discussed with emphasis. We also investigate new types of SSG-protected topological electronic states that are unprecedented in MSGs. In particular, we propose a 3D Z2 topological insu
在这项工作中,我们穷尽了所有自旋空间对称性,这些对称性充分表征了共线磁性、非共线磁性、同相螺旋磁性以及非同相螺旋磁性等,并研究了尊重这些对称性的电子带的丰富特征。为此,我们对所谓的自旋空间群(SSGs)--空间和自旋操作的联合对称群--进行了系统分类,使磁性结构保持不变。一般来说,在自旋轨道耦合(SOC)可忽略不计(有限但弱于感兴趣的能量尺度)的系统中,它们是准确(近似)的对称,但我们也证明,即使存在强 SOC,特定的 SSGs 仍然有效。近年来,SSGs 在各种领域发挥着越来越关键的作用,如改变磁性、拓扑电子态和拓扑磁子等。然而,由于 SSG 的复杂性,迄今为止尚未完成完整的 SSG 分类。通过将 SSG 表示为 O(N) 表示,我们首次获得了对偶(N=1)、共面(N=2)和非共面(N=3)磁分别有 1421、9542 和 56 512 个不同 SSG 的完整分类。SSG 不仅完全表征了自旋自由度的对称性,而且还产生了奇异的电子态,一般来说,这些电子态形成了磁空间群(MSG)的投影表示。令人惊奇的是,SSG 中的电子带呈现出 MSG 中从未有过的特征,例如:(i) 非非线性 SSG 布里渊区,其中 SSG 运算在作用于动量时表现为滑行或螺旋;(ii) 有效 π 通量,其中平移算子相互反交并产生重复带;(iii) MSG 无法解释的高维表示;以及 (iv) 费米面上的非常规自旋纹理,这完全由 SSG 决定,与哈密顿细节无关。为了应用我们的理论,我们为毕尔巴鄂晶体学服务器 MAGNDATA 数据库中已发表的 1595 种磁性结构中的每一种确定了 SSG。我们重点讨论了表现出 (i)-(iv) 新特征的材料实例。我们还研究了 MSG 中前所未有的新型 SSG 保护拓扑电子态。特别是,我们提出了一种在表面具有四倍退化狄拉克点的三维 Z2 拓扑绝缘体态,以及一种出现在磁畴壁上的反常 Z2 螺旋态的新方案。
{"title":"Spin Space Groups: Full Classification and Applications","authors":"Zhenyu Xiao, Jianzhou Zhao, Yanqi Li, Ryuichi Shindou, Zhi-Da Song","doi":"10.1103/physrevx.14.031037","DOIUrl":"https://doi.org/10.1103/physrevx.14.031037","url":null,"abstract":"In this work, we exhaust all the spin space symmetries, which fully characterize collinear, noncollinear, and commensurate spiral as well as incommensurate spiral magnetism, etc., and investigate enriched features of electronic bands that respect these symmetries. We achieve this by systematically classifying the so-called spin space groups (SSGs)—joint symmetry groups of spatial and spin operations that leave the magnetic structure unchanged. Generally speaking, they are accurate (approximate) symmetries in systems where spin-orbit coupling (SOC) is negligible (finite but weaker than the energy scale of interest), but we also show that specific SSGs could remain valid even in the presence of strong SOC. In recent years, SSGs have played increasingly pivotal roles in various fields such as altermagnetism, topological electronic states, and topological magnon, etc. However, due to its complexity, a complete SSG classification has not been completed up to now. By representing the SSGs as <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi mathvariant=\"normal\">O</mi><mo stretchy=\"false\">(</mo><mi>N</mi><mo stretchy=\"false\">)</mo></mrow></math> representations, we—for the first time—obtain the complete classifications of 1421, 9542, and 56 512 distinct SSGs for collinear (<math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>N</mi><mo>=</mo><mn>1</mn></math>), coplanar (<math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>N</mi><mo>=</mo><mn>2</mn></math>), and noncoplanar (<math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>N</mi><mo>=</mo><mn>3</mn></math>) magnetism, respectively. SSG not only fully characterizes the symmetry of spin degrees of freedom, but also gives rise to exotic electronic states, which, in general, form projective representations of magnetic space groups (MSGs). Surprisingly, electronic bands in SSGs exhibit features never seen in MSGs, such as (i) nonsymmorphic SSG Brillouin zone, where SSG operations behave as a glide or screw when acting on momentum, (ii) effective <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>π</mi></math> flux, where translation operators anticommute with each other and yield duplicate bands, (iii) higher-dimensional representations unexplained by MSGs, and (iv) unconventional spin texture on a Fermi surface, which is completely determined by SSGs, independent of Hamiltonian details. To apply our theory, we identify the SSG for each of the 1595 published magnetic structures in the MAGNDATA database on the Bilbao Crystallographic Server. Material examples exhibiting the novel features (i)–(iv) are discussed with emphasis. We also investigate new types of SSG-protected topological electronic states that are unprecedented in MSGs. In particular, we propose a 3D <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi mathvariant=\"double-struck\">Z</mi><mn>2</mn></msub></math> topological insu","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":null,"pages":null},"PeriodicalIF":12.5,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142090365","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
期刊
Physical Review X
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1