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Paramagnetic fluctuations of the magnetocaloric compound MnFe4Si3
IF 3.7 2区 物理与天体物理
Physical Review B Pub Date : 2025-02-18 DOI: 10.1103/physrevb.111.054424
N. Biniskos, K. Schmalzl, J. Persson, S. Raymond
{"title":"Paramagnetic fluctuations of the magnetocaloric compound MnFe4Si3","authors":"N. Biniskos, K. Schmalzl, J. Persson, S. Raymond","doi":"10.1103/physrevb.111.054424","DOIUrl":"https://doi.org/10.1103/physrevb.111.054424","url":null,"abstract":"An inelastic neutron scattering technique is employed to investigate the paramagnetic spin dynamics in a single-crystalline sample of the magnetocaloric compound MnFe</a:mi>4</a:mn></a:msub>Si</a:mi>3</a:mn></a:msub></a:mrow></a:math>. In the investigated temperature range, <b:math xmlns:b=\"http://www.w3.org/1998/Math/MathML\"><b:mrow><b:mn>1.033</b:mn><b:mo>×</b:mo><b:msub><b:mi>T</b:mi><b:mi>C</b:mi></b:msub></b:mrow></b:math> to <c:math xmlns:c=\"http://www.w3.org/1998/Math/MathML\"><c:mrow><c:mn>1.5</c:mn><c:mo>×</c:mo><c:msub><c:mi>T</c:mi><c:mi>C</c:mi></c:msub></c:mrow></c:math>, where <d:math xmlns:d=\"http://www.w3.org/1998/Math/MathML\"><d:msub><d:mi>T</d:mi><d:mi>C</d:mi></d:msub></d:math> is the Curie temperature, the spin fluctuations are well described by the ferromagnetic Heisenberg model predictions. Apart from the Heisenberg exchange, additional pseudodipolar interactions manifest through a finite long-wavelength relaxation rate that vanishes at the transition temperature (<e:math xmlns:e=\"http://www.w3.org/1998/Math/MathML\"><e:mrow><e:msub><e:mi>T</e:mi><e:mi>C</e:mi></e:msub><e:mo>=</e:mo><e:mn>305</e:mn></e:mrow></e:math> K). Based on the characteristic extent of spin fluctuations in wave-vector and energy space, we determine that the nature of magnetism in <f:math xmlns:f=\"http://www.w3.org/1998/Math/MathML\"><f:mrow><f:msub><f:mi>MnFe</f:mi><f:mn>4</f:mn></f:msub><f:msub><f:mi>Si</f:mi><f:mn>3</f:mn></f:msub></f:mrow></f:math> is localized above room temperature. This contrasts with the most celebrated Mn- and Fe-based magnetocaloric materials that are considered as itinerant magnets. The field dependence of the paramagnetic spectra shows a strong suppression of the quasielastic excitations, while a field-induced spin-wave mode appears at finite-energy transfers for a magnetic field of 2 T. This modification of the spectra suggests a decrease of magnetic entropy with applied magnetic field that finds echo in the magnetocaloric properties of the 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":"13 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443186","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
Transport signatures of Fermi arcs at twin boundaries in Weyl materials
IF 3.7 2区 物理与天体物理
Physical Review B Pub Date : 2025-02-18 DOI: 10.1103/physrevb.111.085133
Sahal Kaushik, Iñigo Robredo, Nitish Mathur, Leslie M. Schoop, Song Jin, Maia G. Vergniory, Jennifer Cano
{"title":"Transport signatures of Fermi arcs at twin boundaries in Weyl materials","authors":"Sahal Kaushik, Iñigo Robredo, Nitish Mathur, Leslie M. Schoop, Song Jin, Maia G. Vergniory, Jennifer Cano","doi":"10.1103/physrevb.111.085133","DOIUrl":"https://doi.org/10.1103/physrevb.111.085133","url":null,"abstract":"One of the most striking signatures of Weyl fermions in solid-state systems is their surface Fermi arcs. Fermi arcs can also be localized at internal twin boundaries where two Weyl materials of opposite chirality meet. In this work, we derive constraints on the topology and connectivity of these “internal Fermi arcs.” We show that internal Fermi arcs can exhibit transport signatures, and we propose two probes: quantum oscillations and a quantized chiral magnetic current. We propose merohedrally twinned B20 materials as candidates to host internal Fermi arcs, verified through both model and calculations. Our theoretical investigation sheds light on the topological features and motivates experimental studies on the intriguing physics of internal Fermi arcs. <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":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443192","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
Untangling the Raman spectra of cubic and tetragonal BaZrO3
IF 3.7 2区 物理与天体物理
Physical Review B Pub Date : 2025-02-18 DOI: 10.1103/physrevb.111.064107
Petter Rosander, Erik Fransson, Nicklas Österbacka, Paul Erhart, Göran Wahnström
{"title":"Untangling the Raman spectra of cubic and tetragonal BaZrO3","authors":"Petter Rosander, Erik Fransson, Nicklas Österbacka, Paul Erhart, Göran Wahnström","doi":"10.1103/physrevb.111.064107","DOIUrl":"https://doi.org/10.1103/physrevb.111.064107","url":null,"abstract":"Raman spectroscopy is a widely used experimental technique to study the vibrational properties of solids. Atomic scale simulations can be used to predict such spectra, but reliable studies at finite temperatures are challenging, mainly due to the requirement of accurate and computationally efficient models for the dielectric susceptibility. Here, we have used molecular dynamics simulations together with a density functional theory-based model for the dielectric susceptibility to determine the Raman spectrum of barium zirconate, BaZrO</a:mi>3</a:mn></a:msub></a:math> (BZO), a well-studied oxide perovskite. At ambient conditions, where the system is cubic, we find excellent agreement with experimentally measured Raman spectra. Our study establishes that the relatively sharp spectra seen experimentally are due to second-order scattering. At higher pressures, where BZO is tetragonal, all first-order Raman active modes are identified. Additionally, slightly below the phase transition, in the cubic phase, a broad central Raman peak appears. The origin of this type of peak is controversial and extensively debated in connection with the dynamics of the halide perovskites. Here, we show that it is also present in a hard oxide perovskite, and it originates from the highly overdamped R-tilt mode in the cubic structure. <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":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443193","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
Strong effects of thermally induced low-spin to high-spin crossover on transport properties of correlated metals
IF 3.7 2区 物理与天体物理
Physical Review B Pub Date : 2025-02-18 DOI: 10.1103/physrevb.111.085131
Johanna Moser, Jernej Mravlje, Markus Aichhorn
{"title":"Strong effects of thermally induced low-spin to high-spin crossover on transport properties of correlated metals","authors":"Johanna Moser, Jernej Mravlje, Markus Aichhorn","doi":"10.1103/physrevb.111.085131","DOIUrl":"https://doi.org/10.1103/physrevb.111.085131","url":null,"abstract":"We use dynamical mean-field theory to study how electronic transport in multiorbital metals is influenced by correlated (nominally) empty orbitals that are in proximity to the Fermi level. Specifically, we study 2</a:mn>+</a:mo>1</a:mn></a:mrow></a:math> orbital and <b:math xmlns:b=\"http://www.w3.org/1998/Math/MathML\"><b:mrow><b:mn>3</b:mn><b:mo>+</b:mo><b:mn>2</b:mn></b:mrow></b:math> orbital (i.e., <c:math xmlns:c=\"http://www.w3.org/1998/Math/MathML\"><c:mrow><c:msub><c:mi>t</c:mi><c:mrow><c:mn>2</c:mn><c:mi>g</c:mi></c:mrow></c:msub><c:mo>+</c:mo><c:msub><c:mi>e</c:mi><c:mi>g</c:mi></c:msub></c:mrow></c:math>) models on a Bethe lattice with a crystal field that is set so that the higher lying orbitals are nearly empty at low temperatures but get a non-negligible occupancy at elevated temperature. The high temperature regime is characterized by thermal activation of carriers leading to higher magnetic response (i.e., thermally induced low-spin to high-spin transition) and substantial influence on resistivity, where one can distinguish two counteracting effects: increased scattering due to formation of high spin and increased scattering phase space on one hand and additional parallel conduction channel on the other. The former effect is stronger and one may identify cases where resistivity increases by a factor of 3 at high temperatures even though the occupancy of the unoccupied band remains small (<d:math xmlns:d=\"http://www.w3.org/1998/Math/MathML\"><d:mrow><d:mo>&lt;</d:mo><d:mn>10</d:mn><d:mo>%</d:mo></d:mrow></d:math>). We discuss implications of our findings for transport properties of correlated materials. <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":"80 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443185","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
Subradiant entanglement in plasmonic nanocavities
IF 3.7 2区 物理与天体物理
Physical Review B Pub Date : 2025-02-18 DOI: 10.1103/physrevb.111.075420
Kalun Bedingfield, Ben Yuen, Angela Demetriadou
{"title":"Subradiant entanglement in plasmonic nanocavities","authors":"Kalun Bedingfield, Ben Yuen, Angela Demetriadou","doi":"10.1103/physrevb.111.075420","DOIUrl":"https://doi.org/10.1103/physrevb.111.075420","url":null,"abstract":"Plasmonic nanocavities are known for their extreme field enhancement and subwavelength light confinement in gaps of just a few nanometers. Pairing this with the ability to host quantum emitters, they form highly promising platforms to control or engineer quantum states at room temperature. Here, we use the lossy nature of plasmonic nanocavities to form subradiant entangled states between two or more quantum emitters, that persist for ∼</a:mo>100</a:mn></a:mrow></a:math> times longer than the plasmonic excitation. We develop a theoretical description that directly links quantum variables to experimentally measurable quantities, such as the extinction cross section, and unlike previous studies includes plasmonic excitations necessary to resonantly form subradiant states. This work paves the way towards engineering quantum entangled states in ambient conditions with plasmonic nanocavities. <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":"2 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443190","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
Quasiparticle wave function and its equation of motion
IF 3.7 2区 物理与天体物理
Physical Review B Pub Date : 2025-02-18 DOI: 10.1103/physrevb.111.075139
F. Aryasetiawan, K. Karlsson
{"title":"Quasiparticle wave function and its equation of motion","authors":"F. Aryasetiawan, K. Karlsson","doi":"10.1103/physrevb.111.075139","DOIUrl":"https://doi.org/10.1103/physrevb.111.075139","url":null,"abstract":"The quasiparticle wave function of a many-electron system is traditionally defined as the eigenfunction of the quasiparticle eigenvalue equation involving the self-energy. In this article a different concept of a quasiparticle wave function is derived from the general definition of the Green's function without reference to self-energy. The proposed quasiparticle wave function can decay in time, and in contrast to the traditional one it contains not only the main quasiparticle mode but also other modes due to coupling to collective excitations in the system. In the recently developed dynamical exchange-correlation potential formalism, this definition of a quasiparticle wave function leads to an equation of motion with an effective field, which appears to have a simple form expected to be amenable to realistic approximations. A simple model for the effective potential is proposed which is suitable for materials whose valence electrons are dominated by itinerant s</a:mi>−</a:mtext>p</a:mi></a:mrow></a:math> electrons such as simple metals. <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":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443187","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
Current noise in quantum dot thermoelectric engines
IF 3.7 2区 物理与天体物理
Physical Review B Pub Date : 2025-02-18 DOI: 10.1103/physrevb.111.075422
Simon Wozny, Martin Leijnse
{"title":"Current noise in quantum dot thermoelectric engines","authors":"Simon Wozny, Martin Leijnse","doi":"10.1103/physrevb.111.075422","DOIUrl":"https://doi.org/10.1103/physrevb.111.075422","url":null,"abstract":"We theoretically investigate a thermoelectric heat engine based on a single-level quantum dot, calculating average quantities such as current, heat current, output power, and efficiency, as well as fluctuations (noise). Our theory is based on a diagrammatic expansion of the memory kernel together with counting statistics, and we investigate the effects of strong interactions and next-to-leading order tunneling. Accounting for next-to-leading order tunneling is crucial for a correct description when operating at high power and high efficiency, and in particular affect the qualitative behavior of the Fano factor and efficiency. We compare our results with the so-called thermodynamic uncertainty relations, which provide a lower bound on the fluctuations for a given efficiency. In principle, the conventional thermodynamic uncertainty relations can be violated by the non-Markovian quantum effects originating from next-to-leading order tunneling, providing a type of quantum advantage. However, for the specific heat engine realization we consider here, we find that next-to-leading order tunneling does not lead to such violations, but in fact always pushes the results further away from the bound set by the thermodynamic uncertainty relations. <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":"85 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443189","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
Low-temperature magnetic behavior on the triangular lattice in hexagonal Ba3Tb(BO3)3
IF 3.7 2区 物理与天体物理
Physical Review B Pub Date : 2025-02-18 DOI: 10.1103/physrevb.111.054427
Nicola D. Kelly, M. Duc Le, Denis Sheptyakov, Camilla Tacconis, Cheng Liu, Gavin B. G. Stenning, Peter J. Baker, Siân E. Dutton
{"title":"Low-temperature magnetic behavior on the triangular lattice in hexagonal Ba3Tb(BO3)3","authors":"Nicola D. Kelly, M. Duc Le, Denis Sheptyakov, Camilla Tacconis, Cheng Liu, Gavin B. G. Stenning, Peter J. Baker, Siân E. Dutton","doi":"10.1103/physrevb.111.054427","DOIUrl":"https://doi.org/10.1103/physrevb.111.054427","url":null,"abstract":"The hexagonal polymorph of Ba</a:mi>3</a:mn></a:msub>Tb</a:mi>(</a:mo>BO</a:mi>3</a:mn></a:msub>)</a:mo></a:mrow>3</a:mn></a:msub></a:mrow></a:math> contains <b:math xmlns:b=\"http://www.w3.org/1998/Math/MathML\"><b:msup><b:mrow><b:mi>Tb</b:mi></b:mrow><b:mrow><b:mn>3</b:mn><b:mo>+</b:mo></b:mrow></b:msup></b:math> ions on a quasi-2D triangular lattice, resulting in geometric magnetic frustration. Powder samples of <c:math xmlns:c=\"http://www.w3.org/1998/Math/MathML\"><c:mrow><c:msub><c:mi>Ba</c:mi><c:mn>3</c:mn></c:msub><c:mi>Tb</c:mi><c:msub><c:mrow><c:mo>(</c:mo><c:msub><c:mi>BO</c:mi><c:mn>3</c:mn></c:msub><c:mo>)</c:mo></c:mrow><c:mn>3</c:mn></c:msub></c:mrow></c:math> have been investigated using specific heat, powder neutron diffraction (PND), inelastic neutron scattering (INS), and muon-spin relaxation spectroscopy (<d:math xmlns:d=\"http://www.w3.org/1998/Math/MathML\"><d:mrow><d:mi>μ</d:mi><d:mi>SR</d:mi></d:mrow></d:math>). No long-range magnetic ordering is observed down to the lowest measured temperatures of 75 mK in PND and specific heat data and 1.5 K in the <e:math xmlns:e=\"http://www.w3.org/1998/Math/MathML\"><e:mrow><e:mi>μ</e:mi><e:mi>SR</e:mi></e:mrow></e:math> data. Modeling the INS spectrum using a point charge model suggests that the ground state is a singlet with a low-lying doublet on each of the two crystallographically independent <f:math xmlns:f=\"http://www.w3.org/1998/Math/MathML\"><f:msup><f:mrow><f:mi>Tb</f:mi></f:mrow><f:mrow><f:mn>3</f:mn><f:mo>+</f:mo></f:mrow></f:msup></f:math> sites and that both the Tb ions display weak <g:math xmlns:g=\"http://www.w3.org/1998/Math/MathML\"><g:mrow><g:mi mathvariant=\"italic\">XY</g:mi></g:mrow></g:math> single-ion anisotropy. <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":"11 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443188","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
Microscopic approach to the problem of enhancement and suppression of superconductivity on twinning planes
IF 3.7 2区 物理与天体物理
Physical Review B Pub Date : 2025-02-14 DOI: 10.1103/physrevb.111.054513
Anton Talkachov, Sahal Kaushik, Egor Babaev
{"title":"Microscopic approach to the problem of enhancement and suppression of superconductivity on twinning planes","authors":"Anton Talkachov, Sahal Kaushik, Egor Babaev","doi":"10.1103/physrevb.111.054513","DOIUrl":"https://doi.org/10.1103/physrevb.111.054513","url":null,"abstract":"Using a microscopic approach, we revisit the problem of superconducting critical temperature change in the presence of twin boundaries. We show that both critical temperature enhancement and suppression can come purely from single-electron geometric effects. These include aspects of scattering of electrons on these crystalline defects even when the coupling constant is unchanged. We consider two-dimensional rectangular and three-dimensional body-centered-cubic lattices with on-site s</a:mi></a:math>-wave superconducting pairing, nearest- and next-nearest-neighbor hoppings. In the considered two-dimensional lattice with twin boundaries, the superconducting critical temperature associated with twinning planes is suppressed for moderate band filling and enhanced for an almost empty or filled band. The superconducting phase diagram is more diverse for the three-dimensional lattice, which is caused by the interplay of van Hove singularity, changing coordination number, and modification of distances to nearest and next-nearest neighbors. <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":"63 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143417353","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
Persistent Haldane phase in carbon tetris chains
IF 3.7 2区 物理与天体物理
Physical Review B Pub Date : 2025-02-13 DOI: 10.1103/physrevb.111.075129
Anas Abdelwahab, Christoph Karrasch, Roman Rausch
{"title":"Persistent Haldane phase in carbon tetris chains","authors":"Anas Abdelwahab, Christoph Karrasch, Roman Rausch","doi":"10.1103/physrevb.111.075129","DOIUrl":"https://doi.org/10.1103/physrevb.111.075129","url":null,"abstract":"We introduce the concept of “tetris chains,” which are linear arrays of four-site molecules that differ by their intermolecular hopping geometry. We investigate the fermionic symmetry-protected topological Haldane phase in these systems using Hubbard-type models. The topological phase diagrams can be understood via different competing limits and mechanisms: strong coupling U</a:mi>≫</a:mo>t</a:mi></a:mrow></a:math>, weak coupling <b:math xmlns:b=\"http://www.w3.org/1998/Math/MathML\"><b:mrow><b:mi>U</b:mi><b:mo>≪</b:mo><b:mi>t</b:mi></b:mrow></b:math>, and the weak intermolecular hopping limit <c:math xmlns:c=\"http://www.w3.org/1998/Math/MathML\"><c:mrow><c:msup><c:mi>t</c:mi><c:mo>′</c:mo></c:msup><c:mo>≪</c:mo><c:mi>t</c:mi></c:mrow></c:math>. Our particular focus is on two tetris chains that are of experimental relevance. First, we show that a “Y-chain” of coarse-grained nanographene molecules (triangulenes) is robustly in the Haldane phase in the whole <d:math xmlns:d=\"http://www.w3.org/1998/Math/MathML\"><d:mrow><d:msup><d:mi>t</d:mi><d:mo>′</d:mo></d:msup><d:mtext>−</d:mtext><d:mi>U</d:mi></d:mrow></d:math> plane due to the cooperative nature of the three limits. Secondly, we study a near-homogeneous “<e:math xmlns:e=\"http://www.w3.org/1998/Math/MathML\"><e:msup><e:mrow><e:mi mathvariant=\"normal\">Y</e:mi></e:mrow><e:mo>′</e:mo></e:msup></e:math>-chain” that is closely related to the electronic model for poly(p-phenylene vinylene). In the latter case, the above mechanisms compete, but the Haldane phase manifests robustly and is stable when long-ranged Pariser-Parr-Popple interactions are added. The site-edged Hubbard ladder can also be viewed as a tetris chain, which gives a very general perspective on the emergence of its fermionic Haldane phase. Our numerical results are obtained by large-scale, SU(2)-symmetric tensor network calculations. We employ the density-matrix-renormalization group as well as the variational uniform matrix-product state (VUMPS) algorithms for finite and infinite systems, respectively. The numerics are supplemented by analytical calculations of the band-structure winding number. <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":"189 1","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143417392","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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