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Orbital Ingredients and Persistent Dirac Surface State for the Topological Band Structure in FeTe0.55Se0.45 FeTe0.55Se0.45 中拓扑带状结构的轨道成分和持久狄拉克表面态
IF 12.5 1区 物理与天体物理
Physical Review X Pub Date : 2024-06-11 DOI: 10.1103/physrevx.14.021043
Y.-F. Li, S.-D. Chen, M. García-Díez, M. I. Iraola, H. Pfau, Y.-L. Zhu, Z.-Q. Mao, T. Chen, M. Yi, P.-C. Dai, J. A. Sobota, M. Hashimoto, M. G. Vergniory, D.-H. Lu, Z.-X. Shen
{"title":"Orbital Ingredients and Persistent Dirac Surface State for the Topological Band Structure in FeTe0.55Se0.45","authors":"Y.-F. Li, S.-D. Chen, M. García-Díez, M. I. Iraola, H. Pfau, Y.-L. Zhu, Z.-Q. Mao, T. Chen, M. Yi, P.-C. Dai, J. A. Sobota, M. Hashimoto, M. G. Vergniory, D.-H. Lu, Z.-X. Shen","doi":"10.1103/physrevx.14.021043","DOIUrl":"https://doi.org/10.1103/physrevx.14.021043","url":null,"abstract":"<math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>FeTe</mi><mn>0.55</mn></msub><mrow><msub><mrow><mi>Se</mi></mrow><mrow><mn>0.45</mn></mrow></msub></mrow></math> (FTS) occupies a special spot in modern condensed matter physics at the intersections of electron correlation, topology, and unconventional superconductivity. The bulk electronic structure of FTS is predicted to be topologically nontrivial due to the band inversion between the <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>d</mi><mrow><mi>x</mi><mi>z</mi></mrow></msub></math> and <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>p</mi><mi>z</mi></msub></math> bands along <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi mathvariant=\"normal\">Γ</mi><mtext>−</mtext><mi>Z</mi></mrow></math>. However, there remain debates in both the authenticity of the Dirac surface states (DSSs) and the experimental deviations of band structure from the theoretical band inversion picture. Here we resolve these debates through a comprehensive angle-resolved photoemission spectroscopy investigation. We first observe a persistent DSS independent of <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>k</mi><mi>z</mi></msub></math>. Then, by comparing FTS with FeSe, which has no band inversion along <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi mathvariant=\"normal\">Γ</mi><mtext>−</mtext><mi>Z</mi></mrow></math>, we identify the spectral weight fingerprint of both the presence of the <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>p</mi><mi>z</mi></msub></math> band and the inversion between the <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>d</mi><mrow><mi>x</mi><mi>z</mi></mrow></msub></math> and <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>p</mi><mi>z</mi></msub></math> bands. Furthermore, we propose a renormalization scheme for the band structure under the framework of a tight-binding model preserving crystal symmetry. Our results highlight the significant influence of correlation on modifying the band structure and make a strong case for the existence of topological band structure in this unconventional superconductor.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":"1 1","pages":""},"PeriodicalIF":12.5,"publicationDate":"2024-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141309036","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
Theory of Correlated Chern Insulators in Twisted Bilayer Graphene 扭曲双层石墨烯中的相关切尔绝缘体理论
IF 12.5 1区 物理与天体物理
Physical Review X Pub Date : 2024-06-10 DOI: 10.1103/physrevx.14.021042
Xiaoyu Wang, Oskar Vafek
{"title":"Theory of Correlated Chern Insulators in Twisted Bilayer Graphene","authors":"Xiaoyu Wang, Oskar Vafek","doi":"10.1103/physrevx.14.021042","DOIUrl":"https://doi.org/10.1103/physrevx.14.021042","url":null,"abstract":"Magic-angle twisted bilayer graphene is the best-studied physical platform featuring moiré potential-induced narrow bands with nontrivial topology and strong electronic correlations. Despite their significance, the Chern insulating states observed at a finite magnetic field—and extrapolating to a band filling <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>s</mi></math> at zero field—remain poorly understood. Unraveling their nature is among the most important open problems in the province of moiré materials. Here, we present the first comprehensive study of interacting electrons in finite magnetic field while varying the electron density, twist angle, and heterostrain. Within a panoply of correlated Chern phases emerging at a range of twist angles, we uncover a unified description for the ubiquitous sequence of states with the Chern number <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>t</mi></math> for <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mo stretchy=\"false\">(</mo><mi>s</mi><mo>,</mo><mi>t</mi><mo stretchy=\"false\">)</mo><mo>=</mo><mo>±</mo><mo stretchy=\"false\">(</mo><mn>0</mn><mo>,</mo><mn>4</mn><mo stretchy=\"false\">)</mo></math>, <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mo>±</mo><mo stretchy=\"false\">(</mo><mn>1</mn><mo>,</mo><mn>3</mn><mo stretchy=\"false\">)</mo></math>, <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mo>±</mo><mo stretchy=\"false\">(</mo><mn>2</mn><mo>,</mo><mn>2</mn><mo stretchy=\"false\">)</mo></math>, and <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mo>±</mo><mo stretchy=\"false\">(</mo><mn>3</mn><mo>,</mo><mn>1</mn><mo stretchy=\"false\">)</mo></math>. We also find correlated Chern insulators at unconventional sequences with <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>s</mi><mo>+</mo><mi>t</mi><mo>≠</mo><mo>±</mo><mn>4</mn></math>, as well as with fractional <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>s</mi></math>, and elucidate their nature.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":"33 1","pages":""},"PeriodicalIF":12.5,"publicationDate":"2024-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141304546","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
In Situ Magnetometry of Iron in Human Dopaminergic Neurons Using Superresolution MRI and Ion-Beam Microscopy 利用超分辨率核磁共振成像和离子束显微镜对人类多巴胺能神经元中的铁进行原位磁测量
IF 12.5 1区 物理与天体物理
Physical Review X Pub Date : 2024-06-10 DOI: 10.1103/physrevx.14.021041
Malte Brammerloh, Renat Sibgatulin, Karl-Heinz Herrmann, Markus Morawski, Tilo Reinert, Carsten Jäger, Roland Müller, Gerald Falkenberg, Dennis Brückner, Kerrin J. Pine, Andreas Deistung, Valerij G. Kiselev, Jürgen R. Reichenbach, Nikolaus Weiskopf, Evgeniya Kirilina
{"title":"In Situ Magnetometry of Iron in Human Dopaminergic Neurons Using Superresolution MRI and Ion-Beam Microscopy","authors":"Malte Brammerloh, Renat Sibgatulin, Karl-Heinz Herrmann, Markus Morawski, Tilo Reinert, Carsten Jäger, Roland Müller, Gerald Falkenberg, Dennis Brückner, Kerrin J. Pine, Andreas Deistung, Valerij G. Kiselev, Jürgen R. Reichenbach, Nikolaus Weiskopf, Evgeniya Kirilina","doi":"10.1103/physrevx.14.021041","DOIUrl":"https://doi.org/10.1103/physrevx.14.021041","url":null,"abstract":"Paramagnetic transition metals play a crucial role as cofactors in various cellular catalytic processes. However, their high concentrations in reactive oxidation states can induce oxidative stress, resulting in cell dysfunction or death. Hence, it is vital to have methods to monitor metal concentrations and paramagnetic properties in cells for medicine and cell biology. Here we present a novel multimodal method for in-cell magnetometry enabling direct measurement of metal magnetic properties within individual cells in tissue, without prior isolation and at room temperature. Individual cell magnetic moments are measured using superresolution magnetic resonance imaging (MRI) microscopy at 9.4 T by detecting microscopic magnetic-field perturbations around the cells. The cellular metal content is quantified using ion-beam microscopy or synchrotron micro-x-ray fluorescence for the same cells. The metal magnetic susceptibility at 9.4 T is then obtained from the slope of the cell magnetic moments’ dependence on cell metal content. To estimate the susceptibility at lower fields, multifield MR relaxometry and biophysical modeling are employed, extrapolating the 9.4-T susceptibility values to fields as low as 3 T. We apply the new method to determine the susceptibility of iron accumulated in human dopaminergic neurons inside neuromelanin, the by-product of dopamine synthesis. The susceptibility of iron in neuromelanin is measured to be <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><msub><mrow><mi>χ</mi></mrow><mrow><mi>ρ</mi></mrow></msub><mo>=</mo><mo stretchy=\"false\">(</mo><mn>2.98</mn><mo>±</mo><mn>0.19</mn><mo stretchy=\"false\">)</mo><mo>×</mo><msup><mn>10</mn><mrow><mo>−</mo><mn>6</mn></mrow></msup><mtext> </mtext><mtext> </mtext><msup><mi mathvariant=\"normal\">m</mi><mn>3</mn></msup><mo>/</mo><mi>kg</mi></mrow></math> providing unique insights into the biochemistry of iron inside dopaminergic neurons. The obtained value reveals a predominant monoatomic low-affinity iron-binding site within neuromelanin, indicating a higher neurotoxicity of iron than previously suggested. Furthermore, the measured susceptibility value establishes a quantitative relationship between cellular iron concentration and iron-sensitive MRI parameters, which can be noninvasively measured <i>in vivo</i>. This breakthrough paves the way for the <i>in vivo</i> detection of dopaminergic neuron density and iron load, requiring a standard clinical MRI scanner only. It promises to facilitate early diagnosis of Parkinson’s disease. In conclusion, our presented novel method enables the direct measurements of magnetic properties of paramagnetic metals within single cells with high sensitivity and across large cell groups within a macroscopic volume, providing invaluable information about the cellular biology of metals.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":"32 1","pages":""},"PeriodicalIF":12.5,"publicationDate":"2024-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141304359","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
Long-Range Entanglement from Measuring Symmetry-Protected Topological Phases 通过测量受对称保护的拓扑相位实现远距离纠缠
IF 12.5 1区 物理与天体物理
Physical Review X Pub Date : 2024-06-07 DOI: 10.1103/physrevx.14.021040
Nathanan Tantivasadakarn, Ryan Thorngren, Ashvin Vishwanath, Ruben Verresen
{"title":"Long-Range Entanglement from Measuring Symmetry-Protected Topological Phases","authors":"Nathanan Tantivasadakarn, Ryan Thorngren, Ashvin Vishwanath, Ruben Verresen","doi":"10.1103/physrevx.14.021040","DOIUrl":"https://doi.org/10.1103/physrevx.14.021040","url":null,"abstract":"A fundamental distinction between many-body quantum states are those with short- and long-range entanglement (SRE and LRE). The latter cannot be created by finite-depth circuits, underscoring the nonlocal nature of Schrödinger cat states, topological order, and quantum criticality. Remarkably, examples are known where LRE is obtained by performing single-site measurements on SRE, such as the toric code from measuring a sublattice of a 2D cluster state. However, a systematic understanding of when and how measurements of SRE give rise to LRE is still lacking. Here, we establish that LRE appears upon performing measurements on symmetry-protected topological (SPT) phases—of which the cluster state is one example. For instance, we show how to implement the Kramers-Wannier transformation by adding a cluster SPT to an input state followed by measurement. This transformation naturally relates states with SRE and LRE. An application is the realization of double-semion order when the input state is the <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi mathvariant=\"double-struck\">Z</mi><mn>2</mn></msub></math> Levin-Gu SPT. Similarly, the addition of fermionic SPTs and measurement leads to an implementation of the Jordan-Wigner transformation of a general state. More generally, we argue that a large class of SPT phases protected by <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>G</mi><mo>×</mo><mi>H</mi></math> symmetry gives rise to anomalous LRE upon measuring <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>G</mi></math>-charges, and we prove that this persists for generic points in the SPT phase under certain conditions. Our work introduces a new practical tool for using SPT phases as resources for creating LRE, and we uncover the classification result that all states related by sequentially gauging Abelian groups or by Jordan-Wigner transformation are in the same equivalence class, once we augment finite-depth circuits with single-site measurements. In particular, any topological or fracton order with a solvable finite gauge group can be obtained from a product state in this way.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":"30 1","pages":""},"PeriodicalIF":12.5,"publicationDate":"2024-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141292670","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
Unlearnable Games and “Satisficing” Decisions: A Simple Model for a Complex World 不可学习的游戏与 "满意 "决策:复杂世界的简单模型
IF 12.5 1区 物理与天体物理
Physical Review X Pub Date : 2024-06-06 DOI: 10.1103/physrevx.14.021039
Jérôme Garnier-Brun, Michael Benzaquen, Jean-Philippe Bouchaud
{"title":"Unlearnable Games and “Satisficing” Decisions: A Simple Model for a Complex World","authors":"Jérôme Garnier-Brun, Michael Benzaquen, Jean-Philippe Bouchaud","doi":"10.1103/physrevx.14.021039","DOIUrl":"https://doi.org/10.1103/physrevx.14.021039","url":null,"abstract":"As a schematic model of the complexity economic agents are confronted with, we introduce the “Sherrington-Kirkpatrick game,” a discrete time binary choice model inspired from mean-field spin glasses. We show that, even in a completely static environment, agents are unable to learn collectively optimal strategies. This is either because the learning process gets trapped in a suboptimal fixed point or because learning never converges and leads to a never-ending evolution of agent intentions. Contrarily to the hope that learning might save the standard “rational expectation” framework in economics, we argue that complex situations are generically <i>unlearnable</i> and agents must do with <i>satisficing</i> solutions, as argued long ago by Simon [<span>Q. J. Econ.</span> <b>69</b>, 99 (1955)]. Only a centralized, omniscient agent endowed with enormous computing power could qualify to determine the optimal strategy of all agents. Using a mix of analytical arguments and numerical simulations, we find that (i) long memory of past rewards is beneficial to learning, whereas overreaction to recent past is detrimental and leads to cycles or chaos; (ii) increased competition (nonreciprocity) destabilizes fixed points and leads first to chaos and, in the high competition limit, to quasicycles; (iii) some amount of randomness in the learning process, perhaps paradoxically, allows the system to reach better collective decisions; (iv) nonstationary, “aging” behavior spontaneously emerges in a large swath of parameter space of our complex but static world. On the positive side, we find that the learning process allows cooperative systems to coordinate around satisficing solutions with rather high (but markedly suboptimal) average reward. However, hypersensitivity to the game parameters makes it impossible to predict <i>ex ante</i> who will be better or worse off in our stylized economy. The statistical description of the space of satisficing solutions is an open problem.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":"30 1","pages":""},"PeriodicalIF":12.5,"publicationDate":"2024-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141264990","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
Testing the Renormalization of the von Klitzing Constant by Cavity Vacuum Fields 用空腔真空场测试冯-克里琴常数的正则化
IF 12.5 1区 物理与天体物理
Physical Review X Pub Date : 2024-06-05 DOI: 10.1103/physrevx.14.021038
Josefine Enkner, Lorenzo Graziotto, Felice Appugliese, Vasil Rokaj, Jie Wang, Michael Ruggenthaler, Christian Reichl, Werner Wegscheider, Angel Rubio, Jérôme Faist
{"title":"Testing the Renormalization of the von Klitzing Constant by Cavity Vacuum Fields","authors":"Josefine Enkner, Lorenzo Graziotto, Felice Appugliese, Vasil Rokaj, Jie Wang, Michael Ruggenthaler, Christian Reichl, Werner Wegscheider, Angel Rubio, Jérôme Faist","doi":"10.1103/physrevx.14.021038","DOIUrl":"https://doi.org/10.1103/physrevx.14.021038","url":null,"abstract":"The value of fundamental physical constants is affected by the coupling of matter to the electromagnetic vacuum state, as predicted and explained by quantum electrodynamics. In this work, we present a millikelvin magnetotransport experiment in the quantum Hall regime that assesses the possibility of the von Klitzing constant being modified by strong cavity vacuum fields. By employing a Wheatstone bridge, we measure the difference between the quantized Hall resistance of a cavity-embedded Hall bar and the resistance standard, achieving an accuracy down to one part in <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><msup><mn>10</mn><mn>5</mn></msup></math> for the lowest Landau level. While our results do not suggest any deviation that could imply a modified Hall resistance, our work represents pioneering efforts in exploring the fundamental implications of vacuum fields in solid-state systems.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":"34 1","pages":""},"PeriodicalIF":12.5,"publicationDate":"2024-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141264844","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
Detection of Approaching Critical Transitions in Natural Systems Driven by Red Noise 检测红色噪声驱动的自然系统中临近的临界转换
IF 12.5 1区 物理与天体物理
Physical Review X Pub Date : 2024-06-04 DOI: 10.1103/physrevx.14.021037
Andreas Morr, Niklas Boers
{"title":"Detection of Approaching Critical Transitions in Natural Systems Driven by Red Noise","authors":"Andreas Morr, Niklas Boers","doi":"10.1103/physrevx.14.021037","DOIUrl":"https://doi.org/10.1103/physrevx.14.021037","url":null,"abstract":"Detection of critical slowing down (CSD) is the dominant avenue for anticipating critical transitions from noisy time-series data. Most commonly, changes in variance and lag-1 autocorrelation [AC(1)] are used as CSD indicators. However, these indicators will only produce reliable results if the noise driving the system is white and stationary. In the more realistic case of time-correlated red noise, increasing (decreasing) the correlation of the noise will lead to spurious (masked) alarms for both variance and AC(1). Here, we propose two new methods that can discriminate true CSD from possible changes in the driving noise characteristics. We focus on estimating changes in the linear restoring rate based on Langevin-type dynamics driven by either white or red noise. We assess the capacity of our new estimators to anticipate critical transitions and show that they perform significantly better than other existing methods both for continuous-time and discrete-time models. In addition to conceptual models, we apply our methods to climate model simulations of the termination of the African Humid Period. The estimations rule out spurious signals stemming from nonstationary noise characteristics and reveal a destabilization of the African climate system as the dynamical mechanism underlying this archetype of abrupt climate change in the past.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":"12 1","pages":""},"PeriodicalIF":12.5,"publicationDate":"2024-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141246485","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
Graph Atomic Cluster Expansion for Semilocal Interactions beyond Equivariant Message Passing 超越等量信息传递的半局部交互的图原子簇扩展
IF 12.5 1区 物理与天体物理
Physical Review X Pub Date : 2024-06-03 DOI: 10.1103/physrevx.14.021036
Anton Bochkarev, Yury Lysogorskiy, Ralf Drautz
{"title":"Graph Atomic Cluster Expansion for Semilocal Interactions beyond Equivariant Message Passing","authors":"Anton Bochkarev, Yury Lysogorskiy, Ralf Drautz","doi":"10.1103/physrevx.14.021036","DOIUrl":"https://doi.org/10.1103/physrevx.14.021036","url":null,"abstract":"The atomic cluster expansion provides local, complete basis functions that enable efficient parametrization of many-atom interactions. We extend the atomic cluster expansion to incorporate graph basis functions. This naturally leads to representations that enable the efficient description of semilocal interactions in physically and chemically transparent form. Simplification of the graph expansion by tensor decomposition results in an iterative procedure that comprises current message-passing machine learning interatomic potentials. We demonstrate the accuracy and efficiency of the graph atomic cluster expansion for a number of small molecules, clusters, and a general-purpose model for carbon. We further show that the graph atomic cluster expansion scales linearly with the number of neighbors and layer depth of the graph basis functions.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":"21 1","pages":""},"PeriodicalIF":12.5,"publicationDate":"2024-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141246641","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
Understanding Inner-Shell Excitations in Molecules through Spectroscopy of the 4f Hole States of YbF 通过对 YbF 的 4f 孔态进行光谱分析了解分子中的内壳激发
IF 12.5 1区 物理与天体物理
Physical Review X Pub Date : 2024-05-30 DOI: 10.1103/physrevx.14.021035
S. Popa, S. Schaller, A. Fielicke, J. Lim, B. G. Sartakov, M. R. Tarbutt, G. Meijer
{"title":"Understanding Inner-Shell Excitations in Molecules through Spectroscopy of the 4f Hole States of YbF","authors":"S. Popa, S. Schaller, A. Fielicke, J. Lim, B. G. Sartakov, M. R. Tarbutt, G. Meijer","doi":"10.1103/physrevx.14.021035","DOIUrl":"https://doi.org/10.1103/physrevx.14.021035","url":null,"abstract":"Molecules containing a lanthanide atom have sets of electronic states arising from excitation of an inner-shell electron. These states have received little attention but are thought to play an important role in laser cooling of such molecules and may be a useful resource for testing fundamental physics. We study a series of inner-shell excited states in YbF using resonance-enhanced multiphoton ionization spectroscopy. We investigate the excited states of lowest energy, 8474, 9013, and <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mn>9090</mn><mtext> </mtext><mtext> </mtext><msup><mrow><mi>cm</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></math> above the ground state, all corresponding to the configuration <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mn>4</mn><msup><mrow><mi>f</mi></mrow><mrow><mn>13</mn></mrow></msup><mn>6</mn><msup><mrow><mi>s</mi></mrow><mrow><mn>2</mn></mrow></msup><mtext> </mtext><mtext> </mtext><msub><mrow><mmultiscripts><mrow><mi>F</mi></mrow><mprescripts></mprescripts><none></none><mrow><mn>2</mn></mrow></mmultiscripts></mrow><mrow><mn>7</mn><mo>/</mo><mn>2</mn></mrow></msub></mrow></math> of the <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><msup><mrow><mi>Yb</mi></mrow><mrow><mo>+</mo></mrow></msup></mrow></math> ion. They are metastable, since they have no electric dipole allowed transitions to the ground state. We also characterize a state at <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mn>31</mn><mtext> </mtext><mn>050</mn><mtext> </mtext><mtext> </mtext><msup><mrow><mi>cm</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></mrow></math> that is easily excited from both the ground and metastable states, which makes it especially useful for this spectroscopic study. Finally, we study two states at 48 720 and <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mn>48</mn><mtext> </mtext><mn>729</mn><mtext> </mtext><mtext> </mtext><msup><mrow><mi>cm</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></mrow></math>, which are above the ionization limit and feature strong autoionizing resonances that prove useful for efficient detection of the molecules and for identifying the rotational quantum number of each line in the spectrum. We resolve the rotational structures of all these states and find that they can all be described by a very simple model based on Hund’s case (c). Our study provides information necessary for laser slowing and magneto-optical trapping of YbF, which is an important species for testing fundamental physics. We also consider whether the low-lying inner-shell states may themselves be useful as probes of the electron’s electric dipole moment or of varying fundamental constants, since they are long-lived states in a laser-coolable molecule featuring closely spaced levels of opposite parity.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":"29 1","pages":""},"PeriodicalIF":12.5,"publicationDate":"2024-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141182500","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
Glassy Word Problems: Ultraslow Relaxation, Hilbert Space Jamming, and Computational Complexity 玻璃文字问题:超低松弛、希尔伯特空间干扰和计算复杂性
IF 12.5 1区 物理与天体物理
Physical Review X Pub Date : 2024-05-29 DOI: 10.1103/physrevx.14.021034
Shankar Balasubramanian, Sarang Gopalakrishnan, Alexey Khudorozhkov, Ethan Lake
{"title":"Glassy Word Problems: Ultraslow Relaxation, Hilbert Space Jamming, and Computational Complexity","authors":"Shankar Balasubramanian, Sarang Gopalakrishnan, Alexey Khudorozhkov, Ethan Lake","doi":"10.1103/physrevx.14.021034","DOIUrl":"https://doi.org/10.1103/physrevx.14.021034","url":null,"abstract":"We introduce a family of local models of dynamics based on “word problems” from computer science and group theory, for which we can place rigorous lower bounds on relaxation timescales. These models can be regarded either as random circuit or local Hamiltonian dynamics and include many familiar examples of constrained dynamics as special cases. The configuration space of these models splits into dynamically disconnected sectors, and for initial states to relax, they must “work out” the other states in the sector to which they belong. When this problem has a high time complexity, relaxation is slow. In some of the cases we study, this problem also has high space complexity. When the space complexity is larger than the system size, an unconventional type of jamming transition can occur, whereby a system of a fixed size is not ergodic but can be made ergodic by appending a large reservoir of sites in a trivial product state. This finding manifests itself in a new type of Hilbert space fragmentation that we call fragile fragmentation. We present explicit examples where slow relaxation and jamming strongly modify the hydrodynamics of conserved densities. In one example, density modulations of wave vector <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>q</mi></math> exhibit almost no relaxation until times <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>O</mi><mo mathvariant=\"bold\" stretchy=\"false\">(</mo><mi>exp</mi><mo stretchy=\"false\">(</mo><mn>1</mn><mo>/</mo><mi>q</mi><mo stretchy=\"false\">)</mo><mo mathvariant=\"bold\" stretchy=\"false\">)</mo></mrow></math>, at which point they abruptly collapse. We also comment on extensions of our results to higher dimensions.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":"8 1","pages":""},"PeriodicalIF":12.5,"publicationDate":"2024-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141177473","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
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