Pub Date : 2025-04-25DOI: 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 Society2025
{"title":"Intrinsic three-dimensional topology in SrNbO3 films","authors":"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","doi":"10.1103/physrevb.111.155146","DOIUrl":"https://doi.org/10.1103/physrevb.111.155146","url":null,"abstract":"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 SrNbO</a:mi>3</a:mn></a:msub></a:math> films drive the emergence of non-trivial band topology. Specifically, ARPES reveals and diffraction data confirm the presence of in-phase <b:math xmlns:b=\"http://www.w3.org/1998/Math/MathML\"><b:mrow><b:msup><b:mi>a</b:mi><b:mn>0</b:mn></b:msup><b:msup><b:mi>a</b:mi><b:mn>0</b:mn></b:msup><b:msup><b:mi>c</b:mi><b:mo>+</b:mo></b:msup></b:mrow></b:math> 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. <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":"4 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143876245","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}
Pub Date : 2025-04-25DOI: 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 Society2025
{"title":"Platinum liquid-vapor phase boundary mapped by fluid flyer experiments","authors":"T. M. Hartsfield, K. M. Amodeo","doi":"10.1103/physrevb.111.134115","DOIUrl":"https://doi.org/10.1103/physrevb.111.134115","url":null,"abstract":"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. <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":"78 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143876067","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}
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
{"title":"I -centered versus F -centered orthorhombic symmetry and negative thermal expansion of the charge density wave of EuAl2Ga2","authors":"Harshit Agarwal, Surya Rohith Kotla, Leila Noohinejad, Biplab Bag, Claudio Eisele, Sitaram Ramakrishnan, Martin Tolkiehn, Carsten Paulmann, Arumugam Thamizhavel, Srinivasan Ramakrishnan, Sander van Smaalen","doi":"10.1103/physrevb.111.155144","DOIUrl":"https://doi.org/10.1103/physrevb.111.155144","url":null,"abstract":"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","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}
Pub Date : 2025-04-24DOI: 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 Society2025
{"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}
Pub Date : 2025-04-24DOI: 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 t2g−eg 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 Society2025
{"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}
Pub Date : 2025-04-23DOI: 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 Society2025
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
{"title":"Exact spectral form factors of noninteracting fermions with Dyson statistics","authors":"Tatsuhiko N. Ikeda, Lev Vidmar, Michael O. Flynn","doi":"10.1103/physrevb.111.144312","DOIUrl":"https://doi.org/10.1103/physrevb.111.144312","url":null,"abstract":"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</a:mi></a:math> and integer time <b:math xmlns:b=\"http://www.w3.org/1998/Math/MathML\"><b:mi>t</b:mi></b:math>. 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. <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":"70 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143866348","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}
Pub Date : 2025-04-23DOI: 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 Society2025
{"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}
Pub Date : 2025-04-23DOI: 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 Society2025
{"title":"Impact of local structure on melt dynamics in Cu-Ti alloys: Insights from ab initio molecular dynamics simulations","authors":"Lucas P. Kreuzer, Fan Yang, Andreas Meyer, Noël Jakse","doi":"10.1103/physrevb.111.144107","DOIUrl":"https://doi.org/10.1103/physrevb.111.144107","url":null,"abstract":"First-principles based molecular-dynamics simulations have been performed for binary Cu</a:mi>x</a:mi></a:msub>Ti</a:mi>1</a:mn>−</a:mo>x</a:mi></a:mrow></a:msub></a:mrow></a:math> (<b:math xmlns:b=\"http://www.w3.org/1998/Math/MathML\"><b:mi>x</b:mi></b:math> = 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 <c:math xmlns:c=\"http://www.w3.org/1998/Math/MathML\"><c:mrow><c:msub><c:mi>Cu</c:mi><c:mn>50</c:mn></c:msub><c:msub><c:mi>Ti</c:mi><c:mn>50</c:mn></c:msub></c:mrow></c:math> 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. <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":"20 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143866347","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}
Pub Date : 2025-04-23DOI: 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 Society2025
{"title":"Analytical model of metasurfaces comprising meta-atoms with anisotropic polarizabilities and for arbitrary incident angles","authors":"Izzatjon Allayarov, Vladimir R. Tuz, Antonio Calà Lesina, Andrey B. Evlyukhin","doi":"10.1103/physrevb.111.155438","DOIUrl":"https://doi.org/10.1103/physrevb.111.155438","url":null,"abstract":"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. <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":"68 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143866493","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}
Pub Date : 2025-04-22DOI: 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 Society2025
{"title":"Observable-enriched entanglement","authors":"Joe H. Winter, Reyhan Ay, Bernd Braunecker, A. M. Cook","doi":"10.1103/physrevb.111.165143","DOIUrl":"https://doi.org/10.1103/physrevb.111.165143","url":null,"abstract":"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. <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":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143862107","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}