Jannis Ehrlich, Daniel F Urban, Christian Elsässer
{"title":"Variational quantum-algorithm based self-consistent calculations for the two-site DMFT model on noisy quantum computing hardware.","authors":"Jannis Ehrlich, Daniel F Urban, Christian Elsässer","doi":"10.1088/1361-648X/add4db","DOIUrl":"10.1088/1361-648X/add4db","url":null,"abstract":"<p><p>Dynamical ean field theory (DMFT) is one of the powerful computational approaches to study electron correlation effects in solid-state materials and molecules. Its practical applicability is, however, limited by the quantity of numerical resources required for the solution of the underlying auxiliary Anderson impurity model. Here, the one-to-one mapping between electronic orbitals and the state of a qubit register suggests a significant computational advantage for the use of a quantum computer (QC) for solving this task. In this work we present a QC approach to solve a two-site DMFT model based on the variational quantum eigensolver (VQE) algorithm. We analyze the propagation of stachastic and device errors through the algorithm and their effects on the calculated self-energy. Therefore, we systematically compare results obtained on simulators with calculations on the IBMQ Ehningen QC hardware. We suggest a means to overcome unphysical features in the self-energy which already result from purely stochastic noise. Based heron, we demonstrate the feasibility to obtain self-consistent results of the two-site DMFT model based on VQE simulations with a finite number of shots.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143970834","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
{"title":"The kagome Heisenberg antiferromagnet YCu<sub>3</sub>(OH)<sub>6.5</sub>Br<sub>2.5</sub>: A review.","authors":"Xun Chen, HaiJun Liao, Yuesheng Li","doi":"10.1088/1361-648X/add9dc","DOIUrl":"https://doi.org/10.1088/1361-648X/add9dc","url":null,"abstract":"<p><p>Quantum spin liquids (QSLs), first proposed by P. W. Anderson back in 1973 through the resonating-valence-bond state, are expected to be central to understanding high-temperature superconductivity and advancing topological quantum computation. However, conclusive experimental evidence for QSLs remains elusive, largely due to two factors: first, most two-dimensional strongly frustrated spin models are not exactly solvable, leading to inconsistent results across numerical methods; second, real materials often include spin-spin interaction perturbations that disrupt the fragile QSL ground state. This review focuses on the kagome Heisenberg antiferromagnet (KHA), which is considered a promising experimental realization of QSLs. Among the existing KHA candidates,
YCu<sub>3</sub>(OH)<sub>6.5</sub>Br<sub>2.5</sub>(YCOB) stands out as the most promising, showing no conventional magnetic ordering down to 50 mK despite a strong antiferromagnetic coupling of ∼ 60 K. This paper reviews key experimental and theoretical studies on YCOB, addressing ongoing challenges and future directions.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144086357","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
Muhammad Sameh, Yury Shukrinov, Ali Y Ellithi, Tharwat El-Sherbini, Majed Nashaat
{"title":"Locking of magnetic moment precession in a nanomagnet coupled to a Josephson junction under external radiation.","authors":"Muhammad Sameh, Yury Shukrinov, Ali Y Ellithi, Tharwat El-Sherbini, Majed Nashaat","doi":"10.1088/1361-648X/add97d","DOIUrl":"https://doi.org/10.1088/1361-648X/add97d","url":null,"abstract":"<p><p>We investigate the IV curve and magnetic moment amplitude in a coupled system consisting of a single-domain nanomagnet and Josephson junction driven by external electromagnetic radiation. The role of the magnetic field generated by the quasiparticle current on the locking of magnetic moment precession and Josephson oscillations is demonstrated. It leads to the appearance of a bubble-like structure in the bias current dependence of the maximal amplitude of magnetic moment. This bubble feature corresponds to the locking of magnetic precession by external radiation, analogous to the well-known Shapiro steps in the IV curve of Josephson junctions. The locking properties in the system can be controlled through parameters of the external signal, such as frequency and amplitude. These findings enable the control of magnetic precession through external radiation in Josephson hybrid structures, which can be useful for applications in superconducting spintronics.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144078608","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
Daniel Staško, Petr Proschek, Jiří Prchal, Milan Klicpera
{"title":"Pressure-tuned magnetism and conductivity in pyrochlore iridates Lu2Ir2O7 and Er2Ir2O7.","authors":"Daniel Staško, Petr Proschek, Jiří Prchal, Milan Klicpera","doi":"10.1088/1361-648X/add97e","DOIUrl":"https://doi.org/10.1088/1361-648X/add97e","url":null,"abstract":"<p><p>A2Ir2O7 iridates were proven to crystallise in the geometrically frustrated pyrochlore structure, which remains stable upon rare-earth cation substitution, temperature variation, and external pressure application. However, the change of interatomic distances and local distortions in the lattice frequently leads to complex electronic properties. The low-temperature behaviour in light-A iridates has been thoroughly investigated, including its evolution with pressure. The present pressure study reports the electrical transport and magnetotransport properties in heavy rare-earth Lu2Ir2O7 and Er2Ir2O7. Both compounds reveal a semiconductor-insulator transition induced by the antiferromagnetic ordering of the all-in-all-out (AIAO) type in the Ir sublattice. The transition monotonously shifts to a higher temperature under applied pressure by approximately 20 K at 3 GPa. As the transition in resistivity originates in the antiferromagnetic order, the latter is expected to be enhanced with the applied pressure as well. Upon cooling the compound in a magnetic field, the AIAO/AOAI domain structure with non-zero net magnetic moment is formed, mirroring itself in an asymmetric term in the magnetoresistivity of Lu2Ir2O7. The application of pressure then enhances the asymmetric term. The same behaviour is proposed for the whole heavy rare-earth A2Ir2O7 series (A = Gd - Lu), although with magnetoresistivity features masked significantly by a stronger response of magnetic A cations.
.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144078610","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
Md Fahel Bin Noor, Ka Ming Law, Nusrat Yasmin, Adam J Hauser, Tiglet Besara
{"title":"Ferrimagnetism and Half-metallicity in Cr-substituted Mn<sub>4-<i>x</i></sub>Cr<sub><i>x</i></sub>Al<sub>11</sub>.","authors":"Md Fahel Bin Noor, Ka Ming Law, Nusrat Yasmin, Adam J Hauser, Tiglet Besara","doi":"10.1088/1361-648X/add8d8","DOIUrl":"https://doi.org/10.1088/1361-648X/add8d8","url":null,"abstract":"<p><p>Single crystals of disordered Mn<sub>4-<i>x</i></sub>Cr<sub><i>x</i></sub>Al<sub>11</sub>have been synthesized via the flux method. EDS on several crystals of various sizes and shapes revealed an average molar ratio of 17:9:74 for Mn:Cr:Al, while X-ray diffraction on three different crystals yield compositions Mn<sub>2.26</sub>Cr<sub>1.74</sub>Al<sub>11</sub>(Mn<sub>4-<i>x</i></sub>Cr<sub><i>x</i></sub>Al<sub>11</sub>,<i>x</i>= 1.74), Mn<sub>0.83</sub>Cr<sub>3.17</sub>Al<sub>11</sub>, and Mn<sub>1.07</sub>Cr<sub>2.93</sub>Al<sub>11</sub>. This compound crystallizes in space group<i>P</i>-1, isostructural with both Mn<sub>4</sub>Al<sub>11</sub>and Cr<sub>4</sub>Al<sub>11</sub>. Magnetic measurements on several crystals show that this disordered compound is ferrimagnetic with a low effective moment of<i>μ</i><sub>eff</sub>≈1.012±0.004 μ<sub>B</sub>/f.u. and a non-reachable transition temperature. DFT calculations display opening of a bandgap in the spin-up channel near the Fermi level with increasing Cr content, an indication of half-metallicity.
.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144078529","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
José Luis Nuñez, Gustavo Daniel Belletti, Frederik Tielens, Paola Quaino
{"title":"Water dissociation in CNT-supported IrO<sub>2</sub>nanoparticles.","authors":"José Luis Nuñez, Gustavo Daniel Belletti, Frederik Tielens, Paola Quaino","doi":"10.1088/1361-648X/add2c0","DOIUrl":"https://doi.org/10.1088/1361-648X/add2c0","url":null,"abstract":"<p><p>Quantum chemical modeling of iridium oxide nanoparticles-(IrO2)n,n=1,2,3-adsorbed on (5, 5) carbon nanotubes (CNTs) is presented. Energetic, geometric, and electronic aspects have been analyzed in depth to understand the main features of the nanoparticles in the gas phase and the adsorption process involved. Covalent Ir-C bonding resulted from the interaction of the (IrO2)1and (IrO2)3particles with the CNT. To evaluate the performance of the material, the dissociation of water into H(ads)and OH(ads)has been investigated. Our results revealed that the intrinsic charge polarization of the iridium oxide clusters favors the water dissociation process, with low activation energies. Moreover, the nanoparticles remain stable and maintain covalent interactions with the CNT surface during the water dissociation process.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":"37 22","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144041134","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
Andrew Wildes, Björn Fåk, Ursula Bengaard Bengaard Hansen, Alexandre Ivanov, Mechthild Enderle, Lucía Puertas Peláez
{"title":"Interplanar magnetic exchange in CoPS<sub>3</sub>.","authors":"Andrew Wildes, Björn Fåk, Ursula Bengaard Bengaard Hansen, Alexandre Ivanov, Mechthild Enderle, Lucía Puertas Peláez","doi":"10.1088/1361-648X/add82e","DOIUrl":"https://doi.org/10.1088/1361-648X/add82e","url":null,"abstract":"<p><p>Neutron three-axis spectrometry has been used to determine the
interplanar magnetic exchange parameter in the magnetic van der Waals compound
CoPS<sub>3</sub>. The exchange is found to be small and antiferromagnetic, estimated to be
0.020 ±0.001 meV, which is surprising considering that the magnetic structure is
correlated ferromagnetically between the ab planes. A possible explanation, involving a
small anisotropy in the exchanges, is proposed. The results are discussed with reference
to the other members of the transition metal-PS<sub>3</sub>compounds.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143989049","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
{"title":"Non-linear charge currents and the planar Hall effect in quantum wells with Rashba and Dresselhaus spin-orbit interactions.","authors":"Abhishek Khanal, D C Marinescu","doi":"10.1088/1361-648X/add3e9","DOIUrl":"https://doi.org/10.1088/1361-648X/add3e9","url":null,"abstract":"<p><p>We calculate the non-linear charge currents in a two-dimensional electron system with Rashba (<i>α</i>) and Dresselhaus (<i>β</i>) linear spin-orbit interactions (SOIs) in the presence of in-plane electric<b>E</b>and magnetic<b>B</b>fields. Working in a rotated system of coordinates that introducesα±βas effective couplings on perpendicular directions, we show that the currents, quadratic in the electric field, exist for all values of the chemical potential<i>µ</i>, above or below the band crossing energy<i>E</i><sub>0</sub>. Our formalism uses a second order correction to the particle distribution functionδf(2)derived in a semi-classical approximation that takes into account the local change in the single-particle energy under the action of the electric field. In a quantum well, whereμ>E0, for a spin-orbit energy larger than the Zeeman splitting, the non-linear currents that flow perpendicular on the direction of the magnetic field are found to be proportional withα±βwhenE⊥Band with(α±β)2/(α∓β)whenE∥B, a result independent of the presence of any additional SOIs, such as the cubic Dresselhaus or warping.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":"37 22","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144030441","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
Marian Nita, Mugurel Tolea, Catalina Catalina Marinescu
{"title":"A General Algorithm For Determining The Conductivity Zeros In Large Molecular Nanostructures: Applications To Rectangular Graphene Sheets.","authors":"Marian Nita, Mugurel Tolea, Catalina Catalina Marinescu","doi":"10.1088/1361-648X/add77f","DOIUrl":"https://doi.org/10.1088/1361-648X/add77f","url":null,"abstract":"<p><p>We propose an algorithm for determining the zeros of the electric conductivity in large molecular nanonstructures such as graphene sheets.
To this end, we employ the inverse graph method, whereby non-zeros of the Green's functions are represented graphically
by a segment connecting two atomic sites,
to visually signal the existence of a conductance zero as a line that is missing.
In rectangular graphene structures the
topological properties of the inverse graph determine the existence of two types of Green function zeros
that correspond to absolute conductance cancellations
with distinct behavior in the presence of external disorder. We discuss these findings and their potential applications in some particular cases.
.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":" ","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144015767","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
{"title":"Anomalous behaviors in dynamical quantum phase transitions of long-range topological chains.","authors":"J E C Carmelo, Wing Chi Yu, P D Sacramento","doi":"10.1088/1361-648X/add3a5","DOIUrl":"https://doi.org/10.1088/1361-648X/add3a5","url":null,"abstract":"<p><p>The dynamics of quantum phase transitions of topological systems has attracted interest. Here we consider the effect of long-range hopping terms on the dynamic behavior. The long-range hoppings preserve chiral symmetry and decay as a function of distance, with an exponent<i>β</i>. We also consider a situation where the hoppings are modulated by oscillations. We compare the results with those obtained for short-range models such as the Su-Schrieffer-Heeger model or its extension to second neighboring cells. While often the lowest critical times coincide with the first peak of the Loschmidt rate, several anomalous cases are identified. Also, the number of critical times often exceeds the absolute value of the change of the winding number in a quench. Various correlation functions are considered, and their time-dependence may often be used to identify the early-time dynamical phase transitions.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":"37 22","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144008134","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}