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Fragile spin liquid in three dimensions
IF 3.7 2区 物理与天体物理
Physical Review B Pub Date : 2025-04-09 DOI: 10.1103/physrevb.111.134413
Anna Fancelli, R. Flores-Calderón, Owen Benton, Bella Lake, Roderich Moessner, Johannes Reuther
{"title":"Fragile spin liquid in three dimensions","authors":"Anna Fancelli, R. Flores-Calderón, Owen Benton, Bella Lake, Roderich Moessner, Johannes Reuther","doi":"10.1103/physrevb.111.134413","DOIUrl":"https://doi.org/10.1103/physrevb.111.134413","url":null,"abstract":"Motivated by the recent appearance of the trillium lattice in the search for materials hosting spin liquids, we study the ground state of the classical Heisenberg model on its line graph, the trilline lattice. We find that this network realizes the recently proposed notion of a fragile spin liquid in three dimensions. Additionally, we analyze the Ising case and argue for a possible Z</a:mi>2</a:mn></a:msub></a:math> quantum spin liquid phase in the corresponding quantum dimer model. Like the well-known <c:math xmlns:c=\"http://www.w3.org/1998/Math/MathML\"><c:mrow><c:mi>U</c:mi><c:mo>(</c:mo><c:mn>1</c:mn><c:mo>)</c:mo></c:mrow></c:math> spin liquids, the classical phase hosts moment fractionalization evidenced by the diluted lattice, but unlike those, it exhibits exponential decay in both spin correlations and interactions between fractionalized moments. This provides an instance of a purely short-range correlated classical Heisenberg spin liquid in three dimensions. <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":"91 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143813469","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
Translation symmetry restoration under random unitary dynamics
IF 3.7 2区 物理与天体物理
Physical Review B Pub Date : 2025-04-08 DOI: 10.1103/physrevb.111.l140304
Katja Klobas, Colin Rylands, Bruno Bertini
{"title":"Translation symmetry restoration under random unitary dynamics","authors":"Katja Klobas, Colin Rylands, Bruno Bertini","doi":"10.1103/physrevb.111.l140304","DOIUrl":"https://doi.org/10.1103/physrevb.111.l140304","url":null,"abstract":"The finite parts of a large, locally interacting many-body system prepared out of equilibrium eventually equilibrate. Characterizing the underlying mechanisms of this process and its timescales, however, is particularly hard as it requires one to decouple universal features from observable-specific ones. Recently, additional insight was gained by studying how certain symmetries of the dynamics that are broken by the initial state are restored at the level of the reduced state of a given subsystem. This provides a high-level, observable-independent probe. Until now, this idea has been applied to the restoration of internal symmetries, e.g., U(1) symmetries related to charge conservation. Here we show that the same logic can be applied to the restoration of space-time symmetries, and hence can be used to characterize the relaxation of fully generic systems. We illustrate this idea by considering the paradigmatic example of “generic” many-body dynamics, i.e., a local random unitary circuit, where our method leads to exact results. We show that the restoration of translation symmetry in these systems only happens on timescales that are proportional to the subsystem's volume. In fact, for large enough subsystems, the time of symmetry restoration becomes initial-state independent (as long as the latter breaks the symmetry at time zero) and coincides with the thermalization time. For intermediate subsystems, however, one can observe the “quantum Mpemba effect,” where the state of the system restores a symmetry faster if it is initially more asymmetric. We provide an exact characterization of this effect in a nonintegrable system. <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":"49 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143805565","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
Enhanced quantum sensitivity and coherence of symmetric magnetic clusters 增强对称磁簇的量子灵敏度和相干性
IF 3.7 2区 物理与天体物理
Physical Review B Pub Date : 2025-04-04 DOI: 10.1103/physrevb.111.134406
Lorenzo Amato, Manuel Grimm, Markus Müller
{"title":"Enhanced quantum sensitivity and coherence of symmetric magnetic clusters","authors":"Lorenzo Amato, Manuel Grimm, Markus Müller","doi":"10.1103/physrevb.111.134406","DOIUrl":"https://doi.org/10.1103/physrevb.111.134406","url":null,"abstract":"Searching for highly coherent degrees of freedom in noisy solid-state environments is a major challenge in condensed matter. In disordered dipolar systems, such as magnetically doped insulators, compact clusters of two-level systems (TLS) have recently been shown to have significantly longer coherence times than typical single TLS. Coupling weakly to their environment, they sense and probe its many-body dynamics through the induced dephasing. However, it has remained an open question whether further mechanisms exist that protect the coherence of such solid-state qubits. Here, we show that symmetric clusters of a few TLS couple even more weakly to their surroundings, making them highly sensitive quantum sensors of slow many-body dynamics. Furthermore, we explore their use as qubits for quantum information storage, detailing the techniques required for their preparation and manipulation. Our findings elucidate the role of symmetry in enhancing quantum coherence in disordered and noisy systems, opening a route toward a sensitive experimental probe of many-body quasilocalization dynamics as well as the development of quantum technologies in solid-state 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":"90 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143782859","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
Electronic structure of Bi2Ir2O7 probed by resonant inelastic x-ray scattering at the oxygen K edge: Metallicity, hybridization, and electronic correlations
IF 3.7 2区 物理与天体物理
Physical Review B Pub Date : 2025-04-04 DOI: 10.1103/physrevb.111.155106
P. Olalde-Velasco, Y. Huang, J. Pelliciari, J. Miyawaki, A. Uldry, D. Prabhakaran, B. Delley, Y. Harada, A. T. Boothroyd, H. M. Rønnow, D. F. McMorrow, T. Schmitt
{"title":"Electronic structure of Bi2Ir2O7 probed by resonant inelastic x-ray scattering at the oxygen K edge: Metallicity, hybridization, and electronic correlations","authors":"P. Olalde-Velasco, Y. Huang, J. Pelliciari, J. Miyawaki, A. Uldry, D. Prabhakaran, B. Delley, Y. Harada, A. T. Boothroyd, H. M. Rønnow, D. F. McMorrow, T. Schmitt","doi":"10.1103/physrevb.111.155106","DOIUrl":"https://doi.org/10.1103/physrevb.111.155106","url":null,"abstract":"The electronic structure of metallic Bi&lt;/a:mi&gt;2&lt;/a:mn&gt;&lt;/a:msub&gt;Ir&lt;/a:mi&gt;2&lt;/a:mn&gt;&lt;/a:msub&gt;O&lt;/a:mi&gt;7&lt;/a:mn&gt;&lt;/a:msub&gt;&lt;/a:mrow&gt;&lt;/a:math&gt; has been investigated by a combination of soft x-ray absorption spectroscopy, x-ray emission spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS) in the vicinity of the oxygen &lt;e:math xmlns:e=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;e:mrow&gt;&lt;e:mi&gt;K&lt;/e:mi&gt;&lt;/e:mrow&gt;&lt;/e:math&gt; edge. The O &lt;f:math xmlns:f=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;f:mrow&gt;&lt;f:mi&gt;K&lt;/f:mi&gt;&lt;/f:mrow&gt;&lt;/f:math&gt;-edge RIXS spectra are found to resemble the O &lt;g:math xmlns:g=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;g:mrow&gt;&lt;g:mi&gt;K&lt;/g:mi&gt;&lt;/g:mrow&gt;&lt;/g:math&gt;-edge XES spectra with resonating features but with an absence of any Raman modes, revealing the highly itinerant nature of this compound. The O &lt;h:math xmlns:h=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;h:mrow&gt;&lt;h:mi&gt;K&lt;/h:mi&gt;&lt;/h:mrow&gt;&lt;/h:math&gt;-edge response is compared with scalar relativistic band structure calculations within the local density approximation, which captures the main spectral characteristics. The RIXS spectra either display a localized or delocalized Ir &lt;i:math xmlns:i=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;i:mrow&gt;&lt;i:mn&gt;5&lt;/i:mn&gt;&lt;i:mi&gt;d&lt;/i:mi&gt;&lt;/i:mrow&gt;&lt;/i:math&gt; response, depending on whether the photon energy is tuned to the pre-edge or above. Our results uncover a significant coupling of O &lt;j:math xmlns:j=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;j:mrow&gt;&lt;j:mi&gt;K&lt;/j:mi&gt;&lt;/j:mrow&gt;&lt;/j:math&gt;-edge RIXS via the O &lt;k:math xmlns:k=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;k:mrow&gt;&lt;k:mn&gt;2&lt;/k:mn&gt;&lt;k:mi&gt;p&lt;/k:mi&gt;&lt;k:mo&gt;−&lt;/k:mo&gt;&lt;k:mi&gt;Ir&lt;/k:mi&gt;&lt;/k:mrow&gt;&lt;k:mo&gt; &lt;/k:mo&gt;&lt;k:mrow&gt;&lt;k:mn&gt;5&lt;/k:mn&gt;&lt;k:mi&gt;d&lt;/k:mi&gt;&lt;/k:mrow&gt;&lt;/k:math&gt; hybridization to the partial density of states of the Ir &lt;l:math xmlns:l=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;l:mrow&gt;&lt;l:mn&gt;5&lt;/l:mn&gt;&lt;l:mi&gt;d&lt;/l:mi&gt;&lt;/l:mrow&gt;&lt;/l:math&gt; states. An alternative explanation of the Ir &lt;m:math xmlns:m=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;m:mrow&gt;&lt;m:mn&gt;5&lt;/m:mn&gt;&lt;m:mi&gt;d&lt;/m:mi&gt;&lt;m:mo&gt;−&lt;/m:mo&gt;&lt;m:mi mathvariant=\"normal\"&gt;O&lt;/m:mi&gt;&lt;/m:mrow&gt;&lt;m:mo&gt; &lt;/m:mo&gt;&lt;m:mrow&gt;&lt;m:mn&gt;2&lt;/m:mn&gt;&lt;m:mi&gt;p&lt;/m:mi&gt;&lt;/m:mrow&gt;&lt;/m:math&gt; hybridization spectral structure in the optical region of the RIXS spectra is given in terms of Ir &lt;o:math xmlns:o=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;o:mrow&gt;&lt;o:mi&gt;d&lt;/o:mi&gt;&lt;o:mi&gt;d&lt;/o:mi&gt;&lt;/o:mrow&gt;&lt;/o:math&gt; excitations. Our findings allow us to infer that the relative electronic correlations in the metallic &lt;p:math xmlns:p=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;p:mrow&gt;&lt;p:msub&gt;&lt;p:mi mathvariant=\"normal\"&gt;Bi&lt;/p:mi&gt;&lt;p:mn&gt;2&lt;/p:mn&gt;&lt;/p:msub&gt;&lt;p:msub&gt;&lt;p:mi mathvariant=\"normal\"&gt;Ir&lt;/p:mi&gt;&lt;p:mn&gt;2&lt;/p:mn&gt;&lt;/p:msub&gt;&lt;p:msub&gt;&lt;p:mi mathvariant=\"normal\"&gt;O&lt;/p:mi&gt;&lt;p:mn&gt;7&lt;/p:mn&gt;&lt;/p:msub&gt;&lt;/p:mrow&gt;&lt;/p:math&gt; compound with sizable spin-orbit coupling are &lt;t:math xmlns:t=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;t:mrow&gt;&lt;t:mn&gt;0.06&lt;/t:mn&gt;&lt;t:mo&gt;≤&lt;/t:mo&gt;&lt;t:mi&gt;U&lt;/t:mi&gt;&lt;/t:mrow&gt;&lt;t:mo&gt;/&lt;/t:mo&gt;&lt;t:mrow&gt;&lt;t:mi&gt;W&lt;/t:mi&gt;&lt;t:mo&gt;≤&lt;/t:mo&gt;&lt;t:mn&gt;0.22&lt;/t:mn&gt;&lt;/t:mrow&gt;&lt;/t:math&gt; and thus are in the moderate-to-weak regime. We found th","PeriodicalId":20082,"journal":{"name":"Physical Review B","volume":"59 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143775328","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
Variable-temperature and carrier-resolved photo-Hall measurements of high-performance selenium thin-film solar cells
IF 3.7 2区 物理与天体物理
Physical Review B Pub Date : 2025-04-04 DOI: 10.1103/physrevb.111.165202
Rasmus S. Nielsen, Oki Gunawan, Teodor Todorov, Clara B. Møller, Ole Hansen, Peter C. K. Vesborg
{"title":"Variable-temperature and carrier-resolved photo-Hall measurements of high-performance selenium thin-film solar cells","authors":"Rasmus S. Nielsen, Oki Gunawan, Teodor Todorov, Clara B. Møller, Ole Hansen, Peter C. K. Vesborg","doi":"10.1103/physrevb.111.165202","DOIUrl":"https://doi.org/10.1103/physrevb.111.165202","url":null,"abstract":"Selenium is an elemental semiconductor with a wide band gap suitable for a range of optoelectronic and solar energy conversion technologies. However, developing such applications requires an in-depth understanding of the fundamental material properties. Here, we study the properties of the majority and minority charge carriers in selenium using a recently developed carrier-resolved photo-Hall technique, which enables simultaneous mapping of the mobilities and concentrations of both carriers under varying light intensities. Additionally, we perform temperature-dependent Hall measurements to extract information about the acceptor level and ionization efficiency. Our findings are compared to results from other advanced characterization techniques, and the inconsistencies are outlined. Finally, we characterize a high-performance selenium thin-film solar cell, and we perform device simulations to systematically address each discrepancy and accurately reproduce experimental current-voltage and external quantum efficiency measurements. These results contribute to a deeper understanding of the optoelectronic properties and carrier dynamics in selenium, which may guide future improvements and facilitate the development of higher-efficiency selenium solar cells. <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":"1 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143775364","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
Numerical calculation of the Hopf index for three-dimensional magnetic textures
IF 3.7 2区 物理与天体物理
Physical Review B Pub Date : 2025-04-04 DOI: 10.1103/physrevb.111.134408
R. Knapman, M. Azhar, A. Pignedoli, L. Gallard, R. Hertel, J. Leliaert, K. Everschor-Sitte
{"title":"Numerical calculation of the Hopf index for three-dimensional magnetic textures","authors":"R. Knapman, M. Azhar, A. Pignedoli, L. Gallard, R. Hertel, J. Leliaert, K. Everschor-Sitte","doi":"10.1103/physrevb.111.134408","DOIUrl":"https://doi.org/10.1103/physrevb.111.134408","url":null,"abstract":"To gain deeper insight into the complex, stable, and robust configurations of magnetic textures, topological characterization has proven essential. In particular, while the skyrmion number is a well-established topological invariant for two-dimensional magnetic textures, the Hopf index serves as a key topological descriptor for three-dimensional magnetic structures. In this paper, we present and compare various methods for numerically calculating the Hopf index, provide implementations, and offer a detailed analysis of their accuracy and computational efficiency. Additionally, we identify and address common pitfalls and challenges associated with the numerical computation of the Hopf index, offering insights for improving the robustness of these techniques. <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":"73 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143782858","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
Tomographic identification of all molecular orbitals in a wide binding-energy range 在宽结合能范围内对所有分子轨道进行断层识别
IF 3.7 2区 物理与天体物理
Physical Review B Pub Date : 2025-04-02 DOI: 10.1103/physrevb.111.165402
Anja Haags, Dominik Brandstetter, Xiaosheng Yang, Larissa Egger, Hans Kirschner, Alexander Gottwald, Mathias Richter, Georg Koller, François C. Bocquet, Christian Wagner, Michael G. Ramsey, Serguei Soubatch, Peter Puschnig, F. Stefan Tautz
{"title":"Tomographic identification of all molecular orbitals in a wide binding-energy range","authors":"Anja Haags, Dominik Brandstetter, Xiaosheng Yang, Larissa Egger, Hans Kirschner, Alexander Gottwald, Mathias Richter, Georg Koller, François C. Bocquet, Christian Wagner, Michael G. Ramsey, Serguei Soubatch, Peter Puschnig, F. Stefan Tautz","doi":"10.1103/physrevb.111.165402","DOIUrl":"https://doi.org/10.1103/physrevb.111.165402","url":null,"abstract":"In the past decade, photoemission orbital tomography (POT) has evolved into a powerful tool to investigate the electronic structure of organic molecules adsorbed on surfaces. Here we show that POT allows for the comprehensive experimental identification of all molecular orbitals in a substantial binding energy range of more than 10 eV. Making use of the angular distribution of photoelectrons as a function of binding-energy, we exemplify this by extracting an orbital-resolved projected density of states for 15 π</a:mi></a:math> and 23 <b:math xmlns:b=\"http://www.w3.org/1998/Math/MathML\"><b:mi>σ</b:mi></b:math> orbitals from the experimental data of the prototypical organic molecule bisanthene (<c:math xmlns:c=\"http://www.w3.org/1998/Math/MathML\"><c:mrow><c:msub><c:mi mathvariant=\"normal\">C</c:mi><c:mn>28</c:mn></c:msub><c:msub><c:mi mathvariant=\"normal\">H</c:mi><c:mn>14</c:mn></c:msub></c:mrow></c:math>) on a Cu(110) surface. These experimental results for an essentially complete set of orbitals within the given binding-energy range serve as stringent benchmarks for electronic structure methods, which we illustrate by performing density functional calculations employing four frequently used exchange-correlation functionals. By computing the respective molecular-orbital-projected densities of states, a one-to-one comparison with experimental data for an unprecedented number of 38 orbital energies became possible. The quantitative analysis of our data reveals that the range-separated hybrid functional HSE performs best for the investigated organic/metal interface. At a more fundamental level, the remarkable agreement between the experimental and the Kohn-Sham orbital energies over a binding-energy range larger than 10 eV suggests that—perhaps unexpectedly—Kohn-Sham orbitals approximate Dyson orbitals, which would rigorously account for the electron extraction process in photoemission spectroscopy but are notoriously difficult to compute, in a much better way than previously thought. <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":"18 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143766334","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
Valence, charge transfer, and orbital-dependent correlation in bilayer nickelates Nd3Ni2O7
IF 3.7 2区 物理与天体物理
Physical Review B Pub Date : 2025-04-02 DOI: 10.1103/physrevb.111.165101
Daisuke Takegami, Takaki Okauchi, Edgar Abarca Morales, Koto Fujinuma, Mizuki Furo, Masato Yoshimura, Ku-Ding Tsuei, Grace A. Pan, Dan Ferenc Segedin, Qi Song, Hanjong Paik, Charles M. Brooks, Julia A. Mundy, Takashi Mizokawa, Liu Hao Tjeng, Berit H. Goodge, Atsushi Hariki
{"title":"Valence, charge transfer, and orbital-dependent correlation in bilayer nickelates Nd3Ni2O7","authors":"Daisuke Takegami, Takaki Okauchi, Edgar Abarca Morales, Koto Fujinuma, Mizuki Furo, Masato Yoshimura, Ku-Ding Tsuei, Grace A. Pan, Dan Ferenc Segedin, Qi Song, Hanjong Paik, Charles M. Brooks, Julia A. Mundy, Takashi Mizokawa, Liu Hao Tjeng, Berit H. Goodge, Atsushi Hariki","doi":"10.1103/physrevb.111.165101","DOIUrl":"https://doi.org/10.1103/physrevb.111.165101","url":null,"abstract":"We examine the bulk electronic structure of Nd</a:mi>3</a:mn></a:msub>Ni</a:mi>2</a:mn></a:msub>O</a:mi>7</a:mn></a:msub></a:mrow></a:math> using Ni <c:math xmlns:c=\"http://www.w3.org/1998/Math/MathML\"><c:mrow><c:mn>2</c:mn><c:mi>p</c:mi></c:mrow></c:math> core-level hard x-ray photoemission spectroscopy combined with density functional theory <d:math xmlns:d=\"http://www.w3.org/1998/Math/MathML\"><d:mo>+</d:mo></d:math> dynamical mean-field theory. Our results reveal a large deviation of the Ni <e:math xmlns:e=\"http://www.w3.org/1998/Math/MathML\"><e:mrow><e:mn>3</e:mn><e:mi>d</e:mi></e:mrow></e:math> occupation from the formal <f:math xmlns:f=\"http://www.w3.org/1998/Math/MathML\"><f:msup><f:mrow><f:mi>Ni</f:mi></f:mrow><f:mrow><f:mn>2.5</f:mn><f:mo>+</f:mo></f:mrow></f:msup></f:math> valency, highlighting the importance of the charge transfer from oxygen ligands. We find that the dominant <g:math xmlns:g=\"http://www.w3.org/1998/Math/MathML\"><g:msup><g:mi>d</g:mi><g:mn>8</g:mn></g:msup></g:math> configuration is accompanied by nearly equal contributions from <h:math xmlns:h=\"http://www.w3.org/1998/Math/MathML\"><h:msup><h:mi>d</h:mi><h:mn>7</h:mn></h:msup></h:math> and <i:math xmlns:i=\"http://www.w3.org/1998/Math/MathML\"><i:msup><i:mi>d</i:mi><i:mn>9</i:mn></i:msup></i:math> states, exhibiting an unusual valence state among Ni-based oxides. Finally, we discuss the Ni <j:math xmlns:j=\"http://www.w3.org/1998/Math/MathML\"><j:msub><j:mi>d</j:mi><j:mrow><j:msup><j:mi>x</j:mi><j:mn>2</j:mn></j:msup><j:mo>−</j:mo><j:msup><j:mi>y</j:mi><j:mn>2</j:mn></j:msup></j:mrow></j:msub></j:math> and <k:math xmlns:k=\"http://www.w3.org/1998/Math/MathML\"><k:msub><k:mi>d</k:mi><k:msup><k:mi>z</k:mi><k:mn>2</k:mn></k:msup></k:msub></k:math> orbital-dependent hybridization, correlation and local spin dynamics. <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":"75 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143757975","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
Momentum-space modulated symmetries in the Luttinger liquid
IF 3.7 2区 物理与天体物理
Physical Review B Pub Date : 2025-04-02 DOI: 10.1103/physrevb.111.165105
Alexandre Chaduteau, Nyan Raess, Henry Davenport, Frank Schindler
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引用次数: 0
Evolution of the optically detected magnetic resonance spectra of divacancies in 4 H -SiC from liquid-helium to room temperature
IF 3.7 2区 物理与天体物理
Physical Review B Pub Date : 2025-04-02 DOI: 10.1103/physrevb.111.165201
Danial Shafizadeh, Nguyen T. Son, Igor A. Abrikosov, Ivan G. Ivanov
{"title":"Evolution of the optically detected magnetic resonance spectra of divacancies in 4 H -SiC from liquid-helium to room temperature","authors":"Danial Shafizadeh, Nguyen T. Son, Igor A. Abrikosov, Ivan G. Ivanov","doi":"10.1103/physrevb.111.165201","DOIUrl":"https://doi.org/10.1103/physrevb.111.165201","url":null,"abstract":"The divacancies in 4H</a:mi></a:math>-SiC attract significant attention for use as qubits owing to their spin and photoluminescence (PL) properties and near telecom PL emission. Nevertheless, there exist some ambiguities in the interpretation of their optically detected magnetic resonance (ODMR) spectra, especially at elevated temperatures. In this study, we investigate the divacancy configurations PL1–PL7 using PL and ODMR. We record the full temperature dependence between liquid-helium temperature (3.8 K) and room temperature (295 K), obtained with two different laser energies and different laser polarizations. We also present PL data recorded simultaneously with the ODMR. Our study allows us to continuously follow the evolution of all divacancy configurations in ODMR with temperature, even though their signature is not distinguishable in PL at elevated temperatures. We identify all lines in the room-temperature ODMR spectrum and show that a hypothetical defect PL7, assumed in earlier work to stem from another divacancy configuration, does not exist and its ODMR signal at room temperature is fully explained with PL4. We also provide direct PL evidence on the spatial distribution of PL5, PL6, and a new PL3a defect, showing their presence only close to the surface of the sample, thus corroborating their association with divacancies near stacking faults. We address also the role of the upconversion of the photoluminescence in the ODMR spectra observed at higher temperatures. <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":"12 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143766336","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
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