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Modeling of Ferroelectric Oxide Perovskites: From First to Second Principles 铁电氧化物钙钛矿的建模:从第一原理到第二原理
IF 22.6 1区 物理与天体物理 Q1 PHYSICS, CONDENSED MATTER Pub Date : 2021-12-06 DOI: 10.1146/annurev-conmatphys-040220-045528
Philippe Ghosez, J. Junquera
Taking a historical perspective, we provide a brief overview of the first-principles modeling of ferroelectric perovskite oxides over the past 30 years. We emphasize how the work done by a relatively small community on the fundamental understanding of ferroelectricity and related phenomena has been at the origin of consecutive theoretical breakthroughs, with an impact going often well beyond the limit of the ferroelectric community. In this context, we first review key theoretical advances such as the modern theory of polarization, the computation of functional properties as energy derivatives, the explicit treatment of finite fields, or the advent of second-principles methods to extend the length and timescale of the simulations. We then discuss how these have revolutionized our understanding of ferroelectricity and related phenomena in this technologically important class of compounds. Expected final online publication date for the Annual Review of Condensed Matter Physics, Volume 13 is March 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.
从历史的角度来看,我们简要概述了过去30年来铁电钙钛矿氧化物的第一性原理建模。我们强调,一个相对较小的群体在铁电性和相关现象的基本理解方面所做的工作是连续理论突破的起源,其影响往往远远超出铁电群体的极限。在这种背景下,我们首先回顾了关键的理论进展,如极化的现代理论、作为能量导数的函数性质的计算、有限场的显式处理,或扩展模拟长度和时间尺度的第二原理方法的出现。然后,我们讨论了这些是如何彻底改变我们对铁电性和这类技术上重要的化合物中的相关现象的理解的。《凝聚态物理学年度评论》第13卷预计最终在线出版日期为2022年3月。请参阅http://www.annualreviews.org/page/journal/pubdates用于修订估算。
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引用次数: 14
Topological Magnets: Functions Based on Berry Phase and Multipoles 拓扑磁体:基于Berry相和多极子的功能
IF 22.6 1区 物理与天体物理 Q1 PHYSICS, CONDENSED MATTER Pub Date : 2021-11-04 DOI: 10.1146/annurev-conmatphys-031620-103859
S. Nakatsuji, R. Arita
Macroscopic responses of magnets are often governed by magnetization and, thus, have been restricted to ferromagnets. However, such responses are strikingly large in the newly developed topological magnets, breaking the conventional scaling with magnetization. Taking the recently discovered antiferromagnetic (AF) Weyl semimetals as a prime example, we highlight the two central ingredients driving the significant macroscopic responses: the Berry curvature enhanced because of nontrivial band topology in momentum space, and the cluster magnetic multipoles in real space. The combination of large Berry curvature and multipole enables large macroscopic responses such as the anomalous Hall and Nernst effects, the magneto-optical effect, and the novel magnetic spin Hall effect in antiferromagnets with negligible net magnetization, but also allows us to manipulate these effects by electrical means. Furthermore, nodal-point and nodal-line semimetallic states in ferromagnets may provide the strongly enhanced Berry curvature near the Fermi energy, leading to large responses beyond the conventional magnetization scaling. These significant properties and functions of the topological magnets lay the foundation for future technological development such as spintronics and thermoelectric technology. Expected final online publication date for the Annual Review of Condensed Matter Physics, Volume 13 is March 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.
磁体的宏观响应通常由磁化控制,因此仅限于铁磁体。然而,在新开发的拓扑磁体中,这种响应非常大,打破了传统的磁化比例。以最近发现的反铁磁(AF)Weyl半金属为主要例子,我们强调了驱动显著宏观响应的两个核心因素:由于动量空间中的非平凡能带拓扑结构而增强的Berry曲率,以及实空间中的团簇磁多极。大的Berry曲率和多极的结合使得在具有可忽略净磁化的反铁磁体中能够产生大的宏观响应,例如反常的霍尔和能斯特效应、磁光效应和新的磁自旋霍尔效应,但也使我们能够通过电学手段操纵这些效应。此外,铁磁体中的节点和节点线半金属态可以在费米能量附近提供强烈增强的Berry曲率,导致超出常规磁化标度的大响应。拓扑磁体的这些重要特性和功能为未来的技术发展奠定了基础,如自旋电子学和热电技术。《凝聚态物理学年度评论》第13卷预计最终在线出版日期为2022年3月。请参阅http://www.annualreviews.org/page/journal/pubdates用于修订估算。
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引用次数: 26
Thin Film Skyrmionics 薄膜Skyrmionics
IF 22.6 1区 物理与天体物理 Q1 PHYSICS, CONDENSED MATTER Pub Date : 2021-10-12 DOI: 10.1146/annurev-conmatphys-031620-110344
T. Dohi, R. Reeve, M. Kläui
In condensed matter physics, magnetic skyrmions, topologically stabilized magnetic solitons, have been discovered in various materials systems, which has intrigued the community in terms of not only fundamental physics but also with respect to engineering applications. In particular, skyrmions in thin films are easily manipulable by electrical means even at room temperature. Concomitantly, a variety of possible applications have been proposed and proof-of-concept devices have been demonstrated. Recently, the field of skyrmion-based electronics has been referred to as skyrmionics and this field has been rapidly growing and extended in multiple directions. This review provides recent progress for skyrmion research in thin film systems and we discuss promising new directions, which will further invigorate the field. Expected final online publication date for the Annual Review of Condensed Matter Physics, Volume 13 is March 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.
在凝聚态物理学中,在各种材料系统中发现了拓扑稳定的磁孤子,这不仅在基础物理学方面,而且在工程应用方面都引起了社会的兴趣。特别是,即使在室温下,薄膜中的Skyrmion也很容易通过电气手段进行操作。与此同时,已经提出了各种可能的应用,并展示了概念验证设备。最近,基于skyrmion的电子领域被称为skyrmionics,该领域正在快速发展并向多个方向扩展。这篇综述为skyrmion在薄膜系统中的研究提供了最新进展,我们讨论了有前景的新方向,这将进一步振兴该领域。《凝聚态物理学年度评论》第13卷预计最终在线出版日期为2022年3月。请参阅http://www.annualreviews.org/page/journal/pubdates用于修订估算。
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引用次数: 12
Russell Donnelly and His Leaks 罗素·唐纳利和他的泄密
IF 22.6 1区 物理与天体物理 Q1 PHYSICS, CONDENSED MATTER Pub Date : 2021-10-06 DOI: 10.1146/annurev-conmatphys-050521-033802
J. Niemela, K. Sreenivasan
Russell James Donnelly (b. 1930) was an exceptionally creative physicist with many other interests: art, music, history, and scientific societies and their scholarly journals. He reinvigorated the maturing field of low temperature physics by linking it strongly to fluid turbulence by bold and optimistic leadership at the intersection of the two fields. Immediately after achieving his Ph.D. at Yale University with C.T. Lane and L. Onsager, Russ joined the University of Chicago in 1956, where he became a professor at the first possible opportunity. After some ten years at U. Chicago, where he worked for a time with S. Chandrasekhar, he moved to the University of Oregon and led a vigorous life until his death in 2015. Russ was an excellent organizer of scientific meetings and an enthusiastic expositor of his science. He had a profound sense of service to the community, both civic and scientific, and showed exceptional scientific openness and generosity to his colleagues. He was greatly admired by his community. Expected final online publication date for the Annual Review of Condensed Matter Physics, Volume 13 is March 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.
拉塞尔·詹姆斯·唐纳利(生于1930年)是一位极具创造力的物理学家,他对艺术、音乐、历史、科学学会及其学术期刊有许多其他兴趣。他在低温物理学这两个领域的交叉点上以大胆乐观的领导方式,将其与流体湍流紧密联系起来,重振了这一成熟的低温物理学领域。在耶鲁大学与C.T.Lane和L.Onsager一起获得博士学位后,Russ于1956年加入芝加哥大学,在那里他一有机会就成为了一名教授。在芝加哥大学工作了大约十年后,他与S.Chandrasekhar一起工作了一段时间,之后他搬到了俄勒冈大学,过着充满活力的生活,直到2015年去世。罗斯是一位出色的科学会议组织者,也是一位热情的科学讲解者。他对社区有着深刻的服务意识,无论是公民还是科学,并对同事们表现出非凡的科学开放性和慷慨。他深受社区的钦佩。《凝聚态物理学年度评论》第13卷预计最终在线出版日期为2022年3月。请参阅http://www.annualreviews.org/page/journal/pubdates用于修订估算。
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引用次数: 0
Coherently Coupled Mixtures of Ultracold Atomic Gases 超冷原子气体的相干耦合混合物
IF 22.6 1区 物理与天体物理 Q1 PHYSICS, CONDENSED MATTER Pub Date : 2021-08-16 DOI: 10.1146/annurev-conmatphys-031820-121316
A. Recati, S. Stringari
This article summarizes some of the relevant features exhibited by binary mixtures of Bose–Einstein condensates in the presence of coherent coupling at zero temperature. The coupling, which is experimentally produced by proper photon transitions, can involve either negligible momentum transfer from the electromagnetic radiation (Rabi coupling) or large momentum transfer (Raman coupling) associated with spin–orbit effects. The nature of the quantum phases exhibited by coherently coupled mixtures is discussed in detail, including their paramagnetic, ferromagnetic, and, in the case of spin–orbit coupling, supersolid phases. The behavior of the corresponding elementary excitations is discussed, with explicit emphasis on the novel features caused by the spin-like degree of freedom. Focus is further given to the topological excitations (solitons, vortices) as well as to the superfluid properties. This review also points out relevant open questions that deserve more systematic theoretical and experimental investigations.
本文总结了玻色-爱因斯坦凝聚体的二元混合物在零温度下存在相干耦合时表现出的一些相关特征。这种耦合是由适当的光子跃迁实验产生的,可以涉及来自电磁辐射的可忽略的动量转移(拉比耦合),也可以涉及与自旋-轨道效应相关的大动量转移(拉曼耦合)。详细讨论了相干耦合混合物所表现出的量子相的性质,包括它们的顺磁性、铁磁性,以及在自旋-轨道耦合的情况下的超固相。讨论了相应的基本激发的行为,明确强调了类自旋自由度引起的新特征。进一步关注拓扑激发(孤子、旋涡)以及超流体性质。这篇综述还指出了相关的悬而未决的问题,值得进行更系统的理论和实验研究。
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引用次数: 14
Understanding Hydrophobic Effects: Insights from Water Density Fluctuations 理解疏水效应:来自水密度波动的见解
IF 22.6 1区 物理与天体物理 Q1 PHYSICS, CONDENSED MATTER Pub Date : 2021-08-13 DOI: 10.1146/annurev-conmatphys-040220-045516
Nicholas B Rego, Amish J. Patel
The aversion of hydrophobic solutes for water drives diverse interactions and assemblies across materials science, biology, and beyond. Here, we review the theoretical, computational, and experimental developments that underpin a contemporary understanding of hydrophobic effects. We discuss how an understanding of density fluctuations in bulk water can shed light on the fundamental differences in the hydration of molecular and macroscopic solutes; these differences, in turn, explain why hydrophobic interactions become stronger upon increasing temperature. We also illustrate the sensitive dependence of surface hydrophobicity on the chemical and topographical patterns the surface displays, which makes the use of approximate approaches for estimating hydrophobicity particularly challenging. Importantly, the hydrophobicity of complex surfaces, such as those of proteins, which display nanoscale heterogeneity, can nevertheless be characterized using interfacial water density fluctuations; such a characterization also informs protein regions that mediate their interactions. Finally, we build upon an understanding of hydrophobic hydration and the ability to characterize hydrophobicity to inform the context-dependent thermodynamic forces that drive hydrophobic interactions and the desolvation barriers that impede them. Expected final online publication date for the Annual Review of Condensed Matter Physics, Volume 13 is March 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.
疏水性溶质对水的厌恶推动了材料科学、生物学等领域的各种相互作用和组装。在这里,我们回顾了支撑当代对疏水效应理解的理论、计算和实验发展。我们讨论了对本体水中密度波动的理解如何揭示分子和宏观溶质水合过程中的基本差异;这些差异反过来解释了为什么疏水相互作用在温度升高时变得更强。我们还说明了表面疏水性对表面显示的化学和地形图案的敏感依赖性,这使得使用近似方法来估计疏水性特别具有挑战性。重要的是,显示纳米级异质性的复杂表面(如蛋白质表面)的疏水性仍然可以使用界面水密度波动来表征;这样的表征也为介导它们相互作用的蛋白质区域提供了信息。最后,我们建立在对疏水水合作用的理解和表征疏水性的能力的基础上,以了解驱动疏水相互作用的依赖于上下文的热力学力以及阻碍疏水作用的去溶剂化屏障。《凝聚态物理学年度评论》第13卷预计最终在线出版日期为2022年3月。请参阅http://www.annualreviews.org/page/journal/pubdates用于修订估算。
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引用次数: 22
How Cross-Link Numbers Shape the Large-Scale Physics of Cytoskeletal Materials 交联数如何塑造细胞骨架材料的大规模物理
IF 22.6 1区 物理与天体物理 Q1 PHYSICS, CONDENSED MATTER Pub Date : 2021-06-24 DOI: 10.1146/annurev-conmatphys-052521-093943
S. Furthauer, M. Shelley
Cytoskeletal networks are the main actuators of cellular mechanics, and a foundational example for active matter physics. In cytoskeletal networks, motion is generated on small scales by filaments that push and pull on each other via molecular-scale motors. These local actuations give rise to large-scale stresses and motion. To understand how microscopic processes can give rise to self-organized behavior on larger scales it is important to consider what mechanisms mediate long-ranged mechanical interactions in the systems. Two scenarios have been considered in the recent literature. The first scenario is systems that are relatively sparse, in which most of the large-scale momentum transfer is mediated by the solvent in which cytoskeletal filaments are suspended. The second scenario is systems in which filaments are coupled via cross-link molecules throughout. Here, we review the differences and commonalities between the physics of these two regimes. We also survey the literature for the numbers that allow us to place a material within either of these two classes.
细胞骨架网络是细胞力学的主要致动器,也是活性物质物理学的一个基本例子。在细胞骨架网络中,运动是由细丝在小尺度上产生的,细丝通过分子尺度的马达相互推动和拉动。这些局部驱动会产生大规模的应力和运动。为了理解微观过程如何在更大范围内产生自组织行为,重要的是要考虑是什么机制介导了系统中的长期机械相互作用。最近的文献中考虑了两种情况。第一种情况是相对稀疏的系统,其中大多数大规模动量转移是由悬浮细胞骨架丝的溶剂介导的。第二种情况是细丝通过交联分子全程耦合的系统。在这里,我们回顾了这两种制度的物理学之间的差异和共性。我们还调查了文献中的数字,这些数字使我们能够将材料放在这两个类别中的任何一个类别中。
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引用次数: 4
Topological Magnons: A Review 拓扑磁振子:综述
IF 22.6 1区 物理与天体物理 Q1 PHYSICS, CONDENSED MATTER Pub Date : 2021-06-02 DOI: 10.1146/annurev-conmatphys-031620-104715
P. McClarty
At sufficiently low temperatures, magnetic materials often enter correlated phases hosting collective, coherent magnetic excitations such as magnons or triplons. Drawing on the enormous progress on topological materials of the past few years, recent research has led to new insights into the geometry and topology of these magnetic excitations. Berry phases associated with magnetic dynamics can lead to observable consequences in heat and spin transport, whereas analogs of topological insulators and semimetals can arise within magnon band structures from natural magnetic couplings. Magnetic excitations offer a platform to explore the interplay of magnetic symmetries and topology, to drive topological transitions using magnetic fields; examine the effects of interactions on topological bands; and generate topologically protected spin currents at interfaces. In this review, we survey progress on all these topics, highlighting aspects of topological matter that are unique to magnon systems and the avenues yet to be fully investigated. Expected final online publication date for the Annual Review of Condensed Matter Physics, Volume 13 is March 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.
在足够低的温度下,磁性材料通常进入相关的相,这些相具有集体的相干磁激发,如磁振子或三重子。得益于过去几年拓扑材料的巨大进步,最近的研究对这些磁激发的几何结构和拓扑结构有了新的见解。与磁动力学相关的Berry相可以在热和自旋输运中产生可观察到的结果,而拓扑绝缘体和半金属的类似物可以在自然磁耦合的磁能带结构中产生。磁激发提供了一个平台来探索磁对称性和拓扑结构的相互作用,并利用磁场驱动拓扑转换;研究相互作用对拓扑带的影响;并且在界面处产生拓扑保护的自旋电流。在这篇综述中,我们综述了所有这些主题的进展,重点介绍了磁振子系统特有的拓扑物质方面以及有待全面研究的途径。《凝聚态物理学年度评论》第13卷预计最终在线出版日期为2022年3月。请参阅http://www.annualreviews.org/page/journal/pubdates用于修订估算。
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引用次数: 73
The Physics of Dense Suspensions 稠密悬浮液的物理学
IF 22.6 1区 物理与天体物理 Q1 PHYSICS, CONDENSED MATTER Pub Date : 2021-05-10 DOI: 10.1146/annurev-conmatphys-031620-105938
C. Ness, Ryohei Seto, R. Mari
Dense suspensions of particles are relevant to many applications and are a key platform for developing a fundamental physics of out-of-equilibrium systems. They present challenging flow properties, apparently turning from liquid to solid upon small changes in composition or, intriguingly, in the driving forces applied to them. The emergent physics close to the ubiquitous jamming transition (and to some extent the glass and gelation transitions) provides common principles with which to achieve a consistent interpretation of a vast set of phenomena reported in the literature. In light of this, we review the current state of understanding regarding the relation between the physics at the particle scale and the rheology at the macroscopic scale. We further show how this perspective opens new avenues for the development of continuum models for dense suspensions.
粒子的密集悬浮液与许多应用有关,是发展非平衡系统基本物理学的关键平台。它们表现出具有挑战性的流动特性,明显地在成分的微小变化上从液体变成固体,或者有趣的是,在施加于它们的驱动力上。接近无所不在的干扰跃迁(在某种程度上还有玻璃化和凝胶化的跃迁)的涌现物理学提供了共同的原理,用它来实现对文献中报道的大量现象的一致解释。鉴于此,我们回顾了目前对颗粒尺度物理与宏观尺度流变之间关系的认识现状。我们进一步展示了这种观点如何为密集悬浮液的连续统模型的发展开辟了新的途径。
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引用次数: 20
Irreversibility and Biased Ensembles in Active Matter: Insights from Stochastic Thermodynamics 活性物质的不可逆性和偏积:来自随机热力学的见解
IF 22.6 1区 物理与天体物理 Q1 PHYSICS, CONDENSED MATTER Pub Date : 2021-04-14 DOI: 10.1146/annurev-conmatphys-031720-032419
'Etienne Fodor, R. Jack, M. Cates
Active systems evade the rules of equilibrium thermodynamics by constantly dissipating energy at the level of their microscopic components. This energy flux stems from the conversion of a fuel, present in the environment, into sustained individual motion. It can lead to collective effects without any equilibrium equivalent, some of which can be rationalized by using equilibrium tools to recapitulate nonequilibrium transitions. An important challenge is then to delineate systematically to what extent the character of these active transitions is genuinely distinct from equilibrium analogs. We review recent works that use stochastic thermodynamics tools to identify, for active systems, a measure of irreversibility comprising a coarse-grained or informatic entropy production. We describe how this relates to the underlying energy dissipation or thermodynamic entropy production, and how it is influenced by collective behavior. Then, we review the possibility of constructing thermodynamic ensembles out-of-equilibrium, where trajectories are biased toward atypical values of nonequilibrium observables. We show that this is a generic route to discovering unexpected phase transitions in active matter systems, which can also inform their design. Expected final online publication date for the Annual Review of Condensed Matter Physics, Volume 13 is March 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.
主动系统通过不断耗散微观组件水平上的能量来规避平衡热力学规则。这种能量通量源于环境中存在的燃料转化为持续的个体运动。它可以导致没有任何平衡等价物的集体效应,其中一些可以通过使用平衡工具来概括非平衡跃迁来合理化。一个重要的挑战是系统地描述这些主动转变的特征在多大程度上与平衡类似物真正不同。我们回顾了最近的工作,这些工作使用随机热力学工具来识别活动系统的不可逆性,包括粗粒度或信息熵产生。我们描述了这与潜在的能量耗散或热力学熵产生之间的关系,以及它如何受到集体行为的影响。然后,我们回顾了在不平衡的情况下构建热力学系综的可能性,其中轨迹偏向于非平衡可观测值的非典型值。我们表明,这是发现活性物质系统中意外相变的一条通用途径,也可以为其设计提供信息。《凝聚态物理学年度评论》第13卷预计最终在线出版日期为2022年3月。请参阅http://www.annualreviews.org/page/journal/pubdates用于修订估算。
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引用次数: 47
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Annual Review of Condensed Matter Physics
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