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Intrinsic three-dimensional topology in SrNbO3 films SrNbO3薄膜的固有三维拓扑结构
IF 3.7 2区 物理与天体物理 Q1 Physics and Astronomy Pub Date : 2025-04-25 DOI: 10.1103/physrevb.111.155146
A. Chikina, V. Rosendal, H. Li, E. Skoropata, E. B. Guedes, M. Caputo, N. C. Plumb, M. Shi, D. H. Petersen, M. Brandbyge, W. H. Brito, E. Pomjakushina, V. Scagnoli, J. Lyu, M. Medarde, U. Staub, S.-W. Huang, E. A. Müller Gubler, F. Baumberger, N. Pryds, M. Radovic
Transition metal oxides, with their wide range of electronic and magnetic properties, offer a remarkable platform for developing future electronics based on unconventional quantum phenomena, such as topological phases. The formation of topologically nontrivial states is linked to crystalline symmetry, spin-orbit coupling, and magnetic ordering. Here, by employing angle-resolved photoemission spectroscopy (ARPES), supported by density functional theory (DFT) calculations, we demonstrated that intrinsic octahedral rotations in SrNbO3 films drive the emergence of non-trivial band topology. Specifically, ARPES reveals and diffraction data confirm the presence of in-phase a0a0c+ octahedral rotation, leading to the formation of topologically protected Dirac band crossings, giving rise to massless fermions in this system. Our study underscores the pivotal role of structural distortions in transition metal oxides, illustrating how they can be strategically harnessed to unlock and stabilize quantum topological states. This approach contributes to the broader understanding of quantum materials and their promising applications in advanced technologies. Published by the American Physical Society 2025
过渡金属氧化物具有广泛的电子和磁性,为基于非常规量子现象(如拓扑相)开发未来电子学提供了一个非凡的平台。拓扑非平凡态的形成与晶体对称性、自旋轨道耦合和磁有序有关。本文采用角分辨光谱学(ARPES)和密度泛函理论(DFT)计算,证明了SrNbO3薄膜中的八面体旋转驱动了非琐碎能带拓扑的出现。具体来说,ARPES揭示和衍射数据证实了同相a0a0c+八面体旋转的存在,导致了拓扑保护的Dirac带交叉的形成,从而产生了该体系中的无质量费米子。我们的研究强调了过渡金属氧化物中结构扭曲的关键作用,说明了如何策略性地利用它们来解锁和稳定量子拓扑状态。这种方法有助于更广泛地理解量子材料及其在先进技术中的应用前景。2025年由美国物理学会出版
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引用次数: 0
Platinum liquid-vapor phase boundary mapped by fluid flyer experiments 流体飞片实验绘制的铂液-气相边界图
IF 3.7 2区 物理与天体物理 Q1 Physics and Astronomy Pub Date : 2025-04-25 DOI: 10.1103/physrevb.111.134115
T. M. Hartsfield, K. M. Amodeo
We report a direct measurement of the temperature and density of a metal along its liquid-vapor coexistence (L-V) curve. By shocking platinum to a high-pressure liquid, we imparted sufficient heat for subsequent isentropic release to place it in a state on the boundary between the liquid and vapor phases. Released material in the liquid phase acted as a high velocity flyer pinned to the L-V curve. We measured velocity and radiant emission of the flyer as well as the interface motion and transiting shock states induced in a downstream window material by its impact. We used these measurements to calculate temperature and density of the L-V curve state which we compare to density functional theory predictions. Published by the American Physical Society 2025
我们报告了沿其液-气共存(L-V)曲线对金属的温度和密度的直接测量。通过将铂冲击到高压液体中,我们为随后的等熵释放提供了足够的热量,使其处于液相和汽相交界处的状态。液相中释放的物质充当固定在L-V曲线上的高速飞片。我们测量了飞片的速度和辐射发射,以及它的冲击在下游窗口材料中引起的界面运动和过渡激波状态。我们使用这些测量值来计算L-V曲线状态的温度和密度,并将其与密度泛函理论的预测进行比较。2025年由美国物理学会出版
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引用次数: 0
I -centered versus F -centered orthorhombic symmetry and negative thermal expansion of the charge density wave of EuAl2Ga2 EuAl2Ga2电荷密度波的I中心与F中心正交对称及负热膨胀
IF 3.7 2区 物理与天体物理 Q1 Physics and Astronomy Pub Date : 2025-04-24 DOI: 10.1103/physrevb.111.155144
Harshit Agarwal, Surya Rohith Kotla, Leila Noohinejad, Biplab Bag, Claudio Eisele, Sitaram Ramakrishnan, Martin Tolkiehn, Carsten Paulmann, Arumugam Thamizhavel, Srinivasan Ramakrishnan, Sander van Smaalen
Together with EuGa</a:mi>4</a:mn></a:msub></a:math> and <b:math xmlns:b="http://www.w3.org/1998/Math/MathML"><b:msub><b:mi>EuAl</b:mi><b:mn>4</b:mn></b:msub><b:mo>,</b:mo><b:mo> </b:mo><b:mrow><b:msub><b:mi>EuAl</b:mi><b:mn>2</b:mn></b:msub><b:msub><b:mi>Ga</b:mi><b:mn>2</b:mn></b:msub></b:mrow></b:math> belongs to the <c:math xmlns:c="http://www.w3.org/1998/Math/MathML"><c:msub><c:mi>BaAl</c:mi><c:mn>4</c:mn></c:msub></c:math> structure type with space group <d:math xmlns:d="http://www.w3.org/1998/Math/MathML"><d:mrow><d:mi>I</d:mi><d:mn>4</d:mn></d:mrow></d:math>/. <e:math xmlns:e="http://www.w3.org/1998/Math/MathML"><e:mrow><e:msub><e:mi>EuAl</e:mi><e:mn>2</e:mn></e:msub><e:msub><e:mi>Ga</e:mi><e:mn>2</e:mn></e:msub></e:mrow></e:math> develops an incommensurate charge density wave (CDW) at temperatures below <f:math xmlns:f="http://www.w3.org/1998/Math/MathML"><f:mrow><f:msub><f:mi>T</f:mi><f:mi>CDW</f:mi></f:msub><f:mo>=</f:mo><f:mn>51</f:mn><f:mspace width="0.16em"/><f:mi mathvariant="normal">K</f:mi></f:mrow></f:math>. On the basis of temperature-dependent single-crystal x-ray diffraction data, the incommensurately modulated CDW crystal structure of <i:math xmlns:i="http://www.w3.org/1998/Math/MathML"><i:mrow><i:msub><i:mi>EuAl</i:mi><i:mn>2</i:mn></i:msub><i:msub><i:mi>Ga</i:mi><i:mn>2</i:mn></i:msub></i:mrow></i:math> is determined to possess orthorhombic symmetry (0000)<j:math xmlns:j="http://www.w3.org/1998/Math/MathML"><j:mrow><j:mi>s</j:mi><j:mn>0000</j:mn></j:mrow></j:math>. This symmetry is different from the orthorhombic -based symmetry of the CDW state of <k:math xmlns:k="http://www.w3.org/1998/Math/MathML"><k:msub><k:mi>EuAl</k:mi><k:mn>4</k:mn></k:msub></k:math>. Nevertheless, both symmetries, (00)<l:math xmlns:l="http://www.w3.org/1998/Math/MathML"><l:mrow><l:mi>s</l:mi><l:mn>00</l:mn></l:mrow></l:math> and (00)<m:math xmlns:m="http://www.w3.org/1998/Math/MathML"><m:mrow><m:mi>s</m:mi><m:mn>00</m:mn></m:mrow></m:math>, lead to the same conclusion, that the CDW is supported by the layers of Al1 type atoms, while the Eu and Al2 or Ga atoms are not directly involved in CDW formation. The different symmetries of the CDW states of <n:math xmlns:n="http://www.w3.org/1998/Math/MathML"><n:msub><n:mi>EuAl</n:mi><n:mn>4</n:mn></n:msub></n:math> and <o:math xmlns:o="http://www.w3.org/1998/Math/MathML"><o:mrow><o:msub><o:mi>EuAl</o:mi><o:mn>2</o:mn></o:msub><o:msub><o:mi>Ga</o:mi><o:mn>2</o:mn></o:msub></o:mrow></o:math>, as well as the observation of negative thermal expansion in the CDW state of <p:math xmlns:p="http://www.w3.org/1998/Math/MathML"><p:mrow><p:msub><p:mi>EuAl</p:mi><p:mn>2</p:mn></p:msub><p:msub><p:mi>Ga</p:mi><p:mn>2</p:mn></p:msub></p:mrow></p:math>, might be explained by the effects of Ga substitution in the latter compound. <jats:supplementary-material> <jats:copyright-statement>Published by the American Physical Society</jats:copyright-statement> <jats:copyright-year>2025</jats:copyright-year> </jats:permissions> </ja
EuAl2Ga2与EuGa4和EuAl4同属于空间群为I4/的BaAl4结构类型。在温度低于TCDW=51K时,EuAl2Ga2会产生不相称的电荷密度波(CDW)。根据随温度变化的单晶 X 射线衍射数据,确定 EuAl2Ga2 的非同调 CDW 晶体结构具有正交对称性 (0000)s0000。这种对称性与 EuAl4 的 CDW 态的正交对称性不同。尽管如此,(00)s00 和 (00)s00 这两种对称性得出了相同的结论,即 CDW 由 Al1 型原子层支撑,而 Eu 和 Al2 或 Ga 原子并不直接参与 CDW 的形成。EuAl4和EuAl2Ga2的CDW态的不同对称性,以及在EuAl2Ga2的CDW态中观察到的负热膨胀,可能可以用后者化合物中Ga替代的影响来解释。 由美国物理学会出版 2025
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On the basis of temperature-dependent single-crystal x-ray diffraction data, the incommensurately modulated CDW crystal structure of &lt;i:math xmlns:i=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;i:mrow&gt;&lt;i:msub&gt;&lt;i:mi&gt;EuAl&lt;/i:mi&gt;&lt;i:mn&gt;2&lt;/i:mn&gt;&lt;/i:msub&gt;&lt;i:msub&gt;&lt;i:mi&gt;Ga&lt;/i:mi&gt;&lt;i:mn&gt;2&lt;/i:mn&gt;&lt;/i:msub&gt;&lt;/i:mrow&gt;&lt;/i:math&gt; is determined to possess orthorhombic symmetry (0000)&lt;j:math xmlns:j=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;j:mrow&gt;&lt;j:mi&gt;s&lt;/j:mi&gt;&lt;j:mn&gt;0000&lt;/j:mn&gt;&lt;/j:mrow&gt;&lt;/j:math&gt;. This symmetry is different from the orthorhombic -based symmetry of the CDW state of &lt;k:math xmlns:k=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;k:msub&gt;&lt;k:mi&gt;EuAl&lt;/k:mi&gt;&lt;k:mn&gt;4&lt;/k:mn&gt;&lt;/k:msub&gt;&lt;/k:math&gt;. Nevertheless, both symmetries, (00)&lt;l:math xmlns:l=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;l:mrow&gt;&lt;l:mi&gt;s&lt;/l:mi&gt;&lt;l:mn&gt;00&lt;/l:mn&gt;&lt;/l:mrow&gt;&lt;/l:math&gt; and (00)&lt;m:math xmlns:m=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;m:mrow&gt;&lt;m:mi&gt;s&lt;/m:mi&gt;&lt;m:mn&gt;00&lt;/m:mn&gt;&lt;/m:mrow&gt;&lt;/m:math&gt;, lead to the same conclusion, that the CDW is supported by the layers of Al1 type atoms, while the Eu and Al2 or Ga atoms are not directly involved in CDW formation. The different symmetries of the CDW states of &lt;n:math xmlns:n=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;n:msub&gt;&lt;n:mi&gt;EuAl&lt;/n:mi&gt;&lt;n:mn&gt;4&lt;/n:mn&gt;&lt;/n:msub&gt;&lt;/n:math&gt; and &lt;o:math xmlns:o=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;o:mrow&gt;&lt;o:msub&gt;&lt;o:mi&gt;EuAl&lt;/o:mi&gt;&lt;o:mn&gt;2&lt;/o:mn&gt;&lt;/o:msub&gt;&lt;o:msub&gt;&lt;o:mi&gt;Ga&lt;/o:mi&gt;&lt;o:mn&gt;2&lt;/o:mn&gt;&lt;/o:msub&gt;&lt;/o:mrow&gt;&lt;/o:math&gt;, as well as the observation of negative thermal expansion in the CDW state of &lt;p:math xmlns:p=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;p:mrow&gt;&lt;p:msub&gt;&lt;p:mi&gt;EuAl&lt;/p:mi&gt;&lt;p:mn&gt;2&lt;/p:mn&gt;&lt;/p:msub&gt;&lt;p:msub&gt;&lt;p:mi&gt;Ga&lt;/p:mi&gt;&lt;p:mn&gt;2&lt;/p:mn&gt;&lt;/p:msub&gt;&lt;/p:mrow&gt;&lt;/p:math&gt;, might be explained by the effects of Ga substitution in the latter compound. &lt;jats:supplementary-material&gt; &lt;jats:copyright-statement&gt;Published by the American Physical Society&lt;/jats:copyright-statement&gt; &lt;jats:copyright-year&gt;2025&lt;/jats:copyright-year&gt; &lt;/jats:permissions&gt; &lt;/ja","PeriodicalId":20082,"journal":{"name":"Physical Review B","volume":"74 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143872669","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Phase diagram of the XXZ pyrochlore model from pseudo-Majorana functional renormalization group 伪majorana泛函重整化群XXZ焦绿盐模型的相图
IF 3.7 2区 物理与天体物理 Q1 Physics and Astronomy Pub Date : 2025-04-24 DOI: 10.1103/physrevb.111.134442
Yannik Schaden, Matías G. Gonzalez, Johannes Reuther
We calculate the magnetic phase diagram of the spin-1/2 nearest neighbor XXZ pyrochlore model using the pseudo-Majorana functional renormalization group in the temperature flow formalism. Our phase diagram as a function of temperature and coupling ratio, allowing both longitudinal and transverse couplings to be ferromagnetic and antiferromagnetic, reveals a large nonmagnetic regime at low temperatures, which includes the quantum spin ice phase near the antiferromagnetic Ising model, as well as the antiferromagnetic Heisenberg and XY models. We are able to detect magnetic phase transitions via critical finite size scaling down to temperatures two orders of magnitude smaller than the spin interactions, demonstrating the remarkably good performance of our method upon approaching the ground state. Specifically, the low-temperature transition from the zero-flux quantum spin ice phase into the transverse ferromagnetic phase shows very good agreement with previous quantum Monte Carlo results. Comparing our findings with classical results, we identify a quantum order-by-disorder effect near the antiferromagnetic XY model. In magnetically disordered regimes, we find characteristic patterns of broadened pinch points in the spin structure factor and investigate their evolution when approaching magnetically ordered phases. We also compute linear responses to lattice symmetry breaking perturbations and identify a possible lattice nematic ground state of the antiferromagnetic XY model. Published by the American Physical Society 2025
利用温度流动形式下的伪majorana泛函重整化群,计算了自旋为1/2的最近邻XXZ焦绿盐模型的磁相图。我们的相图作为温度和耦合比的函数,允许纵向和横向耦合是铁磁的和反铁磁的,揭示了低温下一个大的非磁区,其中包括反铁磁Ising模型附近的量子自旋冰相,以及反铁磁Heisenberg和XY模型。我们能够通过临界有限尺寸缩小到比自旋相互作用小两个数量级的温度来检测磁相变,证明我们的方法在接近基态时具有非常好的性能。具体来说,从零通量量子自旋冰相到横向铁磁相的低温转变与先前的量子蒙特卡罗结果非常吻合。将我们的发现与经典结果进行比较,我们在反铁磁XY模型附近发现了量子有序无序效应。在磁性无序状态下,我们发现了自旋结构因子中加宽掐点的特征模式,并研究了它们在接近磁性有序相时的演变。我们还计算了晶格对称破缺扰动的线性响应,并确定了反铁磁XY模型的可能晶格向列基态。2025年由美国物理学会出版
{"title":"Phase diagram of the XXZ pyrochlore model from pseudo-Majorana functional renormalization group","authors":"Yannik Schaden, Matías G. Gonzalez, Johannes Reuther","doi":"10.1103/physrevb.111.134442","DOIUrl":"https://doi.org/10.1103/physrevb.111.134442","url":null,"abstract":"We calculate the magnetic phase diagram of the spin-1</a:mn>/</a:mo>2</a:mn></a:mrow></a:math> nearest neighbor XXZ pyrochlore model using the pseudo-Majorana functional renormalization group in the temperature flow formalism. Our phase diagram as a function of temperature and coupling ratio, allowing both longitudinal and transverse couplings to be ferromagnetic and antiferromagnetic, reveals a large nonmagnetic regime at low temperatures, which includes the quantum spin ice phase near the antiferromagnetic Ising model, as well as the antiferromagnetic Heisenberg and XY models. We are able to detect magnetic phase transitions via critical finite size scaling down to temperatures two orders of magnitude smaller than the spin interactions, demonstrating the remarkably good performance of our method upon approaching the ground state. Specifically, the low-temperature transition from the zero-flux quantum spin ice phase into the transverse ferromagnetic phase shows very good agreement with previous quantum Monte Carlo results. Comparing our findings with classical results, we identify a quantum order-by-disorder effect near the antiferromagnetic XY model. In magnetically disordered regimes, we find characteristic patterns of broadened pinch points in the spin structure factor and investigate their evolution when approaching magnetically ordered phases. We also compute linear responses to lattice symmetry breaking perturbations and identify a possible lattice nematic ground state of the antiferromagnetic XY model. <jats:supplementary-material> <jats:copyright-statement>Published by the American Physical Society</jats:copyright-statement> <jats:copyright-year>2025</jats:copyright-year> </jats:permissions> </jats:supplementary-material>","PeriodicalId":20082,"journal":{"name":"Physical Review B","volume":"6 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143872679","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Tunable Dirac nodal line in orthorhombic RuO2 正交RuO2中的可调谐狄拉克节点线
IF 3.7 2区 物理与天体物理 Q1 Physics and Astronomy Pub Date : 2025-04-24 DOI: 10.1103/physrevb.111.134114
Ece Uykur, Oleg Janson, Victoria A. Ginga, Marcus Schmidt, Nico Giordano, Alexander A. Tsirlin
The pressure evolution of RuO2 is studied using single-crystal x-ray diffraction in a diamond anvil cell, combined with band-structure calculations. The tetragonal rutile structure transforms into the orthorhombic CaCl2-type structure above 13 GPa under quasihydrostatic pressure conditions. This second-order transition is ferroelastic in nature and accompanied by tilts of the RuO6 octahedra. Orthorhombic RuO2 is expected to be a paramagnetic metal, similar to ambient-pressure RuO2. It shows the increased t2geg crystal-field splitting that is responsible for the pressure-induced color change. It further features the Dirac nodal line that shifts across the Fermi level upon compression. Published by the American Physical Society 2025
利用单晶x射线衍射,结合带结构计算,研究了金刚石砧池中RuO2的压力演化。在准静水压力条件下,方形金红石结构在13gpa以上转变为正交cacl2型结构。这种二阶跃迁本质上是铁弹性的,并且伴随着RuO6八面体的倾斜。正交RuO2预计是一种顺磁性金属,类似于常压RuO2。结果表明,t2g−eg晶体场分裂的增加是压力引起颜色变化的原因。它的进一步特点是狄拉克节点线在压缩时跨越费米能级。2025年由美国物理学会出版
{"title":"Tunable Dirac nodal line in orthorhombic RuO2","authors":"Ece Uykur, Oleg Janson, Victoria A. Ginga, Marcus Schmidt, Nico Giordano, Alexander A. Tsirlin","doi":"10.1103/physrevb.111.134114","DOIUrl":"https://doi.org/10.1103/physrevb.111.134114","url":null,"abstract":"The pressure evolution of RuO</a:mi>2</a:mn></a:msub></a:math> is studied using single-crystal x-ray diffraction in a diamond anvil cell, combined with band-structure calculations. The tetragonal rutile structure transforms into the orthorhombic <b:math xmlns:b=\"http://www.w3.org/1998/Math/MathML\"><b:msub><b:mi>CaCl</b:mi><b:mn>2</b:mn></b:msub></b:math>-type structure above 13 GPa under quasihydrostatic pressure conditions. This second-order transition is ferroelastic in nature and accompanied by tilts of the <c:math xmlns:c=\"http://www.w3.org/1998/Math/MathML\"><c:msub><c:mi>RuO</c:mi><c:mn>6</c:mn></c:msub></c:math> octahedra. Orthorhombic <d:math xmlns:d=\"http://www.w3.org/1998/Math/MathML\"><d:msub><d:mi>RuO</d:mi><d:mn>2</d:mn></d:msub></d:math> is expected to be a paramagnetic metal, similar to ambient-pressure <e:math xmlns:e=\"http://www.w3.org/1998/Math/MathML\"><e:msub><e:mi>RuO</e:mi><e:mn>2</e:mn></e:msub></e:math>. It shows the increased <f:math xmlns:f=\"http://www.w3.org/1998/Math/MathML\"><f:mrow><f:msub><f:mi>t</f:mi><f:mrow><f:mn>2</f:mn><f:mi>g</f:mi></f:mrow></f:msub><f:mtext>−</f:mtext><f:msub><f:mi>e</f:mi><f:mi>g</f:mi></f:msub></f:mrow></f:math> crystal-field splitting that is responsible for the pressure-induced color change. It further features the Dirac nodal line that shifts across the Fermi level upon compression. <jats:supplementary-material> <jats:copyright-statement>Published by the American Physical Society</jats:copyright-statement> <jats:copyright-year>2025</jats:copyright-year> </jats:permissions> </jats:supplementary-material>","PeriodicalId":20082,"journal":{"name":"Physical Review B","volume":"14 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143872644","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Exact spectral form factors of noninteracting fermions with Dyson statistics 非相互作用费米子的精确谱形因子与戴森统计
IF 3.7 2区 物理与天体物理 Q1 Physics and Astronomy Pub Date : 2025-04-23 DOI: 10.1103/physrevb.111.144312
Tatsuhiko N. Ikeda, Lev Vidmar, Michael O. Flynn
The spectral form factor (SFF) is a powerful diagnostic of random matrix behavior in quantum many-body systems. We introduce a family of random circuit ensembles whose SFFs can be computed . These ensembles describe the evolution of noninteracting fermions in the presence of correlated on-site potentials drawn from the eigenvalue distribution of a circular ensemble. For disorder parameters drawn from the circular unitary ensemble (CUE), we derive an exact closed form for the SFF, valid for any choice of system size L and integer time t. When the disorder is drawn from the circular orthogonal or symplectic ensembles (COE and CSE, respectively), we carry out the disorder averages analytically and reduce the computation of the SFF at integer times to a combinatorial problem amenable to transfer matrix methods. In each of these cases, the SFF grows exponentially in time, which we argue is a signature of random matrix universality at the single-particle level. Finally, we develop matchgate circuit representations of our circuit ensembles, enabling their experimental realization in quantum simulators. Published by the American Physical Society 2025
谱形式因子(SFF)是量子多体系统中随机矩阵行为的有力诊断工具。我们引入了一系列可以计算其 SFF 的随机电路集合。这些集合描述了非相互作用费米子在从圆形集合的特征值分布中提取的相关现场电势存在时的演化过程。当无序参数取自环形单元集合(CUE)时,我们推导出 SFF 的精确闭合形式,该形式对系统大小 L 和整数时间 t 的任意选择都有效。在上述每种情况下,SFF 都会随时间呈指数增长,我们认为这是随机矩阵普遍性在单粒子水平上的标志。最后,我们为我们的电路组合开发了匹配门电路表示法,使它们能够在量子模拟器中实验性地实现。 美国物理学会出版 2025
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引用次数: 0
Mechanism of magnetization reversal in bulk and nanoparticles of magnetite 磁铁矿体和纳米颗粒磁化逆转机理研究
IF 3.7 2区 物理与天体物理 Q1 Physics and Astronomy Pub Date : 2025-04-23 DOI: 10.1103/physrevb.111.134439
Roman Gröger
The process by which magnetic moments switch directions is crucial for understanding the performance of magnetic storage materials and in biomedical applications such as magnetic particle imaging and magnetic hyperthermia. Here, we utilize the geodesic nudged elastic band method to identify the atomic-level minimum energy path for a field-free reorientation of magnetic moments in bulk magnetite and single-domain cuboidal magnetite nanoparticles terminated by {100} surfaces. We show that this magnetization reversal involves three successive elementary rotations of magnetic moments in distinct {110} planes. For iron-rich terminated nanoparticles, this energy barrier depends on the degree of surface spin anisotropy. However, no such effect was observed for oxygen-rich terminations. The former effect is particularly pronounced in nanoparticles with large surface-to-volume ratio and diminishes as particle size increases. Published by the American Physical Society 2025
磁矩转换方向的过程对于理解磁存储材料的性能以及磁颗粒成像和磁热疗等生物医学应用至关重要。在这里,我们利用测地线轻推弹性带方法来确定块状磁铁矿和以{100}表面终止的单畴立方磁铁矿纳米颗粒的磁矩无场重定向的原子能级最小能量路径。我们表明,这种磁化反转涉及在不同的平面上磁矩的三个连续的基本旋转。对于端部富含铁的纳米粒子,这种能垒取决于表面自旋各向异性的程度。然而,对于富氧末端,没有观察到这种影响。前一种效应在表面体积比大的纳米颗粒中尤为明显,并随着粒径的增大而减弱。2025年由美国物理学会出版
{"title":"Mechanism of magnetization reversal in bulk and nanoparticles of magnetite","authors":"Roman Gröger","doi":"10.1103/physrevb.111.134439","DOIUrl":"https://doi.org/10.1103/physrevb.111.134439","url":null,"abstract":"The process by which magnetic moments switch directions is crucial for understanding the performance of magnetic storage materials and in biomedical applications such as magnetic particle imaging and magnetic hyperthermia. Here, we utilize the geodesic nudged elastic band method to identify the atomic-level minimum energy path for a field-free reorientation of magnetic moments in bulk magnetite and single-domain cuboidal magnetite nanoparticles terminated by {</a:mo>100</a:mn>}</a:mo></a:mrow></a:math> surfaces. We show that this magnetization reversal involves three successive elementary rotations of magnetic moments in distinct <b:math xmlns:b=\"http://www.w3.org/1998/Math/MathML\"><b:mrow><b:mo>{</b:mo><b:mn>110</b:mn><b:mo>}</b:mo></b:mrow></b:math> planes. For iron-rich terminated nanoparticles, this energy barrier depends on the degree of surface spin anisotropy. However, no such effect was observed for oxygen-rich terminations. The former effect is particularly pronounced in nanoparticles with large surface-to-volume ratio and diminishes as particle size increases. <jats:supplementary-material> <jats:copyright-statement>Published by the American Physical Society</jats:copyright-statement> <jats:copyright-year>2025</jats:copyright-year> </jats:permissions> </jats:supplementary-material>","PeriodicalId":20082,"journal":{"name":"Physical Review B","volume":"52 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143866494","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Impact of local structure on melt dynamics in Cu-Ti alloys: Insights from ab initio molecular dynamics simulations 局部结构对Cu-Ti合金熔体动力学的影响:从头算分子动力学模拟的见解
IF 3.7 2区 物理与天体物理 Q1 Physics and Astronomy Pub Date : 2025-04-23 DOI: 10.1103/physrevb.111.144107
Lucas P. Kreuzer, Fan Yang, Andreas Meyer, Noël Jakse
First-principles based molecular-dynamics simulations have been performed for binary CuxTi1−x (x = 0.31, 0.50, and 0.76) alloys to investigate the relationship between local structure and dynamical properties in the liquid and undercooled melt. The undercooled melts show a pronounced short-range order, majorly a fivefold symmetry (FFS) around the Cu atoms, which competes with bcc ordering. This complex SRO is also reflected in the partial coordination numbers, where mainly a Z12 coordination is present around Cu, which corresponds to an icosahedral ordering. Higher coordination numbers were obtained for Ti compatible with Frank-Kasper polyhedra. The increasing Frank-Kasper polyhedra coordination scenario around Ti impacts the interatomic distances of Ti atoms, which increase with increasing Ti content. The Cu50Ti50 composition exhibits the highest FFS ordering and amount of Frank-Kasper polyhedra, which explains the slowest melt dynamics, found experimentally and in simulations for this composition. Thus, our results suggest that the high undercooling degree originates from the high complexity of the local structure rather than due to the preferred formation of Cu-Ti pairs, as Cu-Ti interactions were found to be weak. Published by the American Physical Society 2025
我们对二元 CuxTi1-x(x = 0.31、0.50 和 0.76)合金进行了基于第一性原理的分子动力学模拟,以研究液态和过冷熔体中局部结构与动力学特性之间的关系。过冷熔体显示出明显的短程有序,主要是铜原子周围的五重对称(FFS),它与 bcc 有序竞争。这种复杂的 SRO 也反映在部分配位数中,主要是铜原子周围的 Z12 配位,相当于二十面体有序。与弗兰克-卡斯帕多面体兼容的钛获得了更高的配位数。钛周围的 Frank-Kasper 多面体配位情况的增加影响了钛原子的原子间距离,钛原子的原子间距离随着钛含量的增加而增加。Cu50Ti50 成分显示出最高的 FFS 排序和 Frank-Kasper 多面体数量,这也是实验和模拟中发现该成分熔体动力学速度最慢的原因。因此,我们的研究结果表明,高过冷度源于局部结构的高度复杂性,而不是由于优先形成铜钛对,因为发现铜钛相互作用很弱。 美国物理学会发表于 2025 年
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引用次数: 0
Analytical model of metasurfaces comprising meta-atoms with anisotropic polarizabilities and for arbitrary incident angles 具有各向异性极化和任意入射角的由元原子组成的超表面的解析模型
IF 3.7 2区 物理与天体物理 Q1 Physics and Astronomy Pub Date : 2025-04-23 DOI: 10.1103/physrevb.111.155438
Izzatjon Allayarov, Vladimir R. Tuz, Antonio Calà Lesina, Andrey B. Evlyukhin
The use of powerful numerical methods to study the optical properties of metasurfaces has led to an obvious need for the development of analytical models that provide meaningful physical analysis of the numerical results. In this paper, we present a general analytical approach to the study of electromagnetic resonances in metasurfaces consisting of meta-atoms with anisotropic dipole polarizabilities and irradiated with light under arbitrary angle of incidence. The presented approach allows us to clearly trace and explain features of coupling between electric and magnetic dipole moments in metasurfaces as well as identify the role of such coupling. For these purposes, the dependence of the dipole lattice sums on the angle of light incidence is also presented. Expressions for the specular transmission and reflection coefficients are presented with explicit inclusion of the incidence angles and the dipole moments of the particles in the array, which allows a clearer analysis of purely numerical results. The developed analytical method is tested to characterize the spectral resonances, including the generalized Brewster effect, of dielectric metasurfaces composed of rectangular silicon nanoprisms. In addition, we discuss the relationship and similarity between the results of coupled dipole and coupled dipole-quadrupole methods. Our analytical representation is an insightful and fast method for the characterization of collective resonances in metasurfaces for irradiation at an arbitrary angle of incidence. It could be especially useful for designing planar nanophotonic devices consisting of building blocks with noncanonical and complex shapes when considering their operation under special irradiation conditions. Published by the American Physical Society 2025
使用强大的数值方法研究元表面的光学特性,显然需要开发分析模型,以便对数值结果进行有意义的物理分析。在本文中,我们提出了一种研究元表面电磁共振的通用分析方法,元表面由具有各向异性偶极极化率的元原子组成,在任意入射角度下进行光照射。所提出的方法使我们能够清楚地追踪和解释元表面中电偶极矩和磁偶极矩之间的耦合特征,并确定这种耦合的作用。为此,我们还介绍了偶极子晶格和对光入射角的依赖性。在给出镜面透射系数和反射系数的表达式时,明确包含了入射角和阵列中粒子的偶极矩,这使得对纯数值结果的分析更加清晰。我们对所开发的分析方法进行了测试,以确定由矩形硅纳米棱镜组成的介电元表面的光谱共振特征,包括广义布鲁斯特效应。此外,我们还讨论了偶极子耦合方法和偶极子-四极子耦合方法结果之间的关系和相似性。我们的分析表述是一种具有洞察力的快速方法,可用于表征以任意入射角照射的超表面中的集体共振。当考虑特殊辐照条件下的运行时,它对设计由具有非正交和复杂形状的构件组成的平面纳米光子器件特别有用。 美国物理学会出版 2025
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引用次数: 0
Observable-enriched entanglement 可观测的丰富纠缠
IF 3.7 2区 物理与天体物理 Q1 Physics and Astronomy Pub Date : 2025-04-22 DOI: 10.1103/physrevb.111.165143
Joe H. Winter, Reyhan Ay, Bernd Braunecker, A. M. Cook
We introduce methods of characterizing entanglement on the example of the quantum skyrmion Hall effect, in which entanglement measures are enriched by the matrix representations of operators for observables. These observable operator matrix representations can enrich the partial trace over subsets of a system's degrees of freedom, yielding reduced density matrices useful in computing various measures of entanglement, which also preserve the observable expectation value. We focus here on applying these methods to compute entanglement spectra, unveiling bulk-boundary correspondences of canonical four-band models for topological skyrmion phases and their connection to simpler forms of bulk-boundary correspondence. Given the fundamental roles entanglement signatures and observables play in the study of quantum systems and the fundamental generalization of the interpretation and treatment of spin within the framework of the quantum skyrmion Hall effect, concepts of observable-enriched entanglement introduced here are broadly applicable to myriad problems of quantum systems. Published by the American Physical Society 2025
我们以量子斯基米子霍尔效应为例,介绍了表征纠缠的方法,其中纠缠度量通过可观测值算子的矩阵表示来丰富。这些可观测算子矩阵表示可以丰富系统自由度子集上的部分迹线,产生可用于计算各种纠缠度量的简化密度矩阵,这也保留了可观测的期望值。我们在这里着重于应用这些方法来计算纠缠谱,揭示拓扑skyrmion相的规范四波段模型的体边界对应,以及它们与更简单形式的体边界对应的联系。考虑到纠缠特征和可观测值在量子系统研究中的基本作用,以及在量子斯基米子霍尔效应的框架内对自旋的解释和处理的基本推广,本文引入的富观测纠缠的概念广泛适用于量子系统的无数问题。2025年由美国物理学会出版
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引用次数: 0
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Physical Review B
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