Publications

Order by: publication date number of citations

• Is Herbertsmithite far from an ideal antiferromagnet? Ab-initio answer including in-plane Dzyaloshinskii-Moriya interactions and coupling with extra-plane impurities

  Flaurent Heully-Alary, Nadia Ben Amor, Nicolas Suaud, Laura Messio, Coen de Graaf, Nathalie Guihéry

  SciPost Phys. Core 8, 092 (2025) · published 15 December 2025 | Toggle abstract · pdf

  Herbertsmithite is known as the archetype of a $S=1/2$ nearest-neighbor Heisenberg antiferromagnet on the kagomé lattice, theoretically presumed to be a quantum gapless spin liquid. However, more and more experiments reveal that the model suffers from deviations from the ideal one, evidenced at very low temperatures. This detailed ab initio study focuses on two such deviations that have never been quantitatively calculated: the anisotropic exchange interactions and the Heisenberg exchange with extra-plane magnetic impurities. The Dzyaloshinskii-Moriya interaction is found to have an in-plane component almost three times larger than the out-of-plane component, but typically obviated in theoretical studies. Moreover, it is shown that the extra-plane magnetic impurities have a strong ferromagnetic interaction (approximatively one third of the main exchange $J_1$) with the kagomé magnetic sites. Combined with an estimated occurrence of these magnetic impurities of $\sim15\%$, the present results indicate that two-dimensional magnetic models only describe part of the physics.

• Learning the non-Markovian features of subsystem dynamics

  Michele Coppola, Mari Carmen Bañuls, Zala Lenarčič

  SciPost Phys. 19, 149 (2025) · published 8 December 2025 | Toggle abstract · pdf

  The dynamics of local observables in a quantum many-body system can be formally described in the language of open systems. The problem is that the bath representing the complement of the local subsystem generally does not allow the common simplifications often crucial for such a framework. Leveraging tensor network calculations and optimization tools from machine learning, we extract and characterize the dynamical maps for single- and two-site subsystems embedded in an infinite quantum Ising chain after a global quench. We consider three paradigmatic regimes: integrable critical, integrable non-critical, and chaotic. For each we find the optimal time-local representation of the subsystem dynamics at different times. We explore the properties of the learned time-dependent Liouvillians and whether they can be used to forecast the long-time dynamics of local observables beyond the times accessible through direct quantum many-body numerical simulation. Our procedure naturally suggests a novel measure of non-Markovianity based on the distance between the quasi-exact dynamical map and the closest CP-divisible form and reveals that criticality leads to the closest Markovian representation at large times.

• Scaling laws of shrinkage induced fragmentation phenomena

  Roland Szatmári, Akio Nakahara, So Kitsunezaki, Ferenc Kun

  SciPost Phys. 19, 142 (2025) · published 1 December 2025 | Toggle abstract · pdf

  We investigate the shrinkage induced breakup of thin layers of heterogeneous materials attached to a substrate, a ubiquitous natural phenomenon with a wide range of potential applications. Focusing on the evolution of the fragment ensemble, we demonstrate that the system has two distinct phases: damage phase, where the layer is cracked, however, a dominant piece persists retaining the structural integrity of the layer, and a fragmentation phase, where the layer disintegrates into numerous small pieces. Based on finite size scaling we show that the transition between the two phases occurs at a critical damage analogous to continuous phase transitions. At the critical point a fully connected crack network emerges whose structure is controlled by the strength of adhesion to the substrate. In the strong adhesion limit, damage arises from random microcrack nucleation, resembling bond percolation, while weak adhesion facilitates stress concentration and the growth of cracks to large extensions. The critical exponents of the damage to fragmentation transition agree to a reasonable accuracy with those of two-dimensional bond percolation. Our findings provide a novel insights into the mechanism of shrinkage-induced cracking revealing generic scaling laws of the phenomenon.

• Impurity effect and vortex cluster phase in mesoscopic type-1.5 superconductors

  Tian-Yi Han, Guo Wang, Jie Li, Hai Huang

  SciPost Phys. 19, 140 (2025) · published 28 November 2025 | Toggle abstract · pdf

  Based on two-band time-dependent Ginzburg-Landau theory, we study the electromagnetic properties of two-band mesoscopic superconductors. We perform the numerical simulations with the finite element method, and determine the minimum sample size $L_c$ for the existence of the type-1.5 superconductivity from the obtained phase diagram in the absence of impurity. Meanwhile in the presence of an isotropic impurity, our numerical results reveal that the vortex cluster state induced by the attractive defect potential will gradually appear in the mesoscopic system with the sample size $L < L_c$, and the critical defect strength is about 0.2 in the $T_c$ disorder model. In addition, we also investigate the effect of anisotropic defect structures and multiple correlated disorders on the patterns of magnetic vortex distributions. Our theoretical study thus indicates that the diversity of impurity depositions has a significant influence on the semi-Meissner state in mesoscopic type-1.5 superconductors.

• Codebase release 2.4 for ALF (Algorithms for Lattice Fermions)

  F. F. Assaad, M. Bercx, F. Goth, A. Götz, J. S. Hofmann, E. Huffman, Z. Liu, F. Parisen Toldin, J. S. E. Portela, J. Schwab

  SciPost Phys. Codebases 1-r2.4 (2025) · published 27 November 2025 | Toggle abstract · src

  The Algorithms for Lattice Fermions package provides a general code for the finite-temperature and projective auxiliary-field quantum Monte Carlo algorithm. The code is engineered to be able to simulate any model that can be written in terms of sums of single-body operators, of squares of single-body operators and single-body operators coupled to a bosonic field with given dynamics. The package includes five pre-defined model classes: SU(N) Kondo, SU(N) Hubbard, SU(N) t-V and SU(N) models with long range Coulomb repulsion on honeycomb, square and N-leg lattices, as well as $Z_2$ unconstrained lattice gauge theories coupled to fermionic and $Z_2$ matter. An implementation of the stochastic Maximum Entropy method is also provided. One can download the code from our Git instance at https://git.physik.uni-wuerzburg.de/ALF/ALF/-/tree/ALF-2.4 and sign in to file issues.

  1 citation

• The ALF (Algorithms for Lattice Fermions) project release 2.4. Documentation for the auxiliary-field quantum Monte Carlo code

  F. F. Assaad, M. Bercx, F. Goth, A. Götz, J. S. Hofmann, E. Huffman, Z. Liu, F. Parisen Toldin, J. S. E. Portela, J. Schwab

  SciPost Phys. Codebases 1-v2.4 (2025) · published 27 November 2025 · licensed under CC BY-SA (4.0) | Toggle abstract · pdf

  The Algorithms for Lattice Fermions package provides a general code for the finite-temperature and projective auxiliary-field quantum Monte Carlo algorithm. The code is engineered to be able to simulate any model that can be written in terms of sums of single-body operators, of squares of single-body operators and single-body operators coupled to a bosonic field with given dynamics. The package includes five pre-defined model classes: SU(N) Kondo, SU(N) Hubbard, SU(N) t-V and SU(N) models with long range Coulomb repulsion on honeycomb, square and N-leg lattices, as well as $Z_2$ unconstrained lattice gauge theories coupled to fermionic and $Z_2$ matter. An implementation of the stochastic Maximum Entropy method is also provided. One can download the code from our Git instance at https://git.physik.uni-wuerzburg.de/ALF/ALF/-/tree/ALF-2.4 and sign in to file issues.

  1 citation

• Superconductivity enhancement and particle-hole asymmetry: Interplay with electron attraction in doped Hubbard model

  Zhi Xu, Hong-Chen Jiang, Yi-Fan Jiang

  SciPost Phys. 19, 137 (2025) · published 25 November 2025 | Toggle abstract · pdf

  The role of near-neighbor electron attraction $V$ in strongly correlated systems has been at the forefront of recent research of unconventional superconductivity. However, its implications in the doped Hubbard model on expansive systems remain predominantly unexplored. In this study, we employ the density-matrix renormalization group to examine its effect in the lightly doped $t$-$t'$-Hubbard model on six-leg square cylinders, where $t$ and $t'$ are the first and second neighbor electron hopping amplitudes. In the electron-doped regime ($t'>0$), we find that attractive $V$ can substantially enhance superconducting correlations, driving the system into a pronounced superconducting phase when the attraction exceeds a modest value $V_c ≈ 0.5t$. In contrast, in the hole-doped regime ($t' <0$), while heightened superconducting correlations have also been observed in the charge stripe phase, the systems remain insulating with pronounced charge density wave order. Our results demonstrate the importance of the electron attraction in boosting superconductivity in broader doped Hubbard systems and highlight the asymmetry between the electron and hole-doped regimes.

• A real-time approach to frequency-mixing spectroscopies: Application to sum and difference frequency generation in two-dimensional crystals

  Mike N. Pionteck, Myrta Grüning, Simone Sanna, Claudio Attaccalite

  SciPost Phys. 19, 129 (2025) · published 18 November 2025 | Toggle abstract · pdf

  We propose a computational framework to extract nonlinear response functions from real-time simulations in the presence of more than one external field. We apply this approach to the calculation of sum frequency generation (SFG) and difference frequency generation (DFG). SFG and DFG are second-order nonlinear processes where two lasers with frequencies $\omega_1$ and $\omega_2$ combine to produce a response at frequency $\omega = \omega_1 ± \omega_2$. Compared with other nonlinear responses such as second-harmonic generation, SFG and DFG allow for tunability over a larger range. Moreover, the optical response can be enhanced by selecting the two laser frequencies in order to match specific electron-hole transitions. To assess the approach, we calculate the SFG and DFG of two-dimensional crystals, h-BN and MoS$_2$ monolayers, from real-time solution of an effective Schrödinger equation. Within the effective Schrödinger equation, one can select from various levels of theory for the effective one-particle Hamiltonian to account for local-field effects and electron-hole interactions. We compare results obtained within the independent particle picture and including many-body effects. Such comparison allows us to identify and characterize excitonic features in the obtained spectra. Additionally, we demonstrate that our approach can also extract higher-order response functions, such as field-induced second-harmonic generation. We provide an example using the h-BN bilayer.

  1 citation

• A Fermi surface descriptor quantifying the correlations between anomalous Hall effect and Fermi surface geometry

  Elena Derunova, Jacob Gayles, Yan Sun, Michael W. Gaultois, Mazhar N. Ali

  SciPost Phys. Core 8, 085 (2025) · published 18 November 2025 | Toggle abstract · pdf

  In the last few decades, basic ideas of topology have completely transformed the prediction of quantum transport phenomena. Following this trend, we go deeper into the incorporation of modern mathematics into quantum material science focusing on geometry. Here we investigate the relation between the geometrical type of the Fermi surface and Anomalous and Spin Hall Effects. An index, $\mathbb{H}_F$, quantifying the hyperbolic geometry of the Fermi surface, shows a universal correlation (R$^2$ = 0.97) with the experimentally measured intrinsic anomalous Hall conductivity, of 16 different compounds spanning a wide variety of crystal, chemical, and electronic structure families, including those where topological methods give R$^2$ = 0.52. This raises a question about the predictive limits of topological physics and its transformation into a wider study of bandstructures' and Fermi surfaces' geometries and relating them to the quantum geometry theory of a more general metric of eigenstates, opening horizon for the prediction of phenomena beyond topological understanding.

• Spin-orbit photonics in a fixed cavity: Harnessing Bogoliubov modes of a Bose-Einstein condensate

  Ghaisud Din, Muqaddar Abbas, Pei Zhang

  SciPost Phys. Core 8, 082 (2025) · published 12 November 2025 | Toggle abstract · pdf

  We present a theoretical investigation of spin-orbit photonics within a fixed mirror cavity system containing a Bose-Einstein condensate (BEC), in which the Bogoliubov excitation modes of the condensate are treated as effective mechanical oscillators. By embedding the condensate in a single-mode optical cavity, we explore the emergence and modulation of the photonic spin Hall effect (PSHE) through the spin-dependent transverse shifts of a weak probe field. The optical response —encoded in the real and imaginary components of the output field susceptibility— is systematically analyzed as a function of the condensate-cavity coupling strength, revealing a controllable enhancement or suppression of the spin-orbit interaction. Our model captures how the interplay between collective BEC excitations and cavity photon dynamics induces nontrivial modifications in spin-dependent light propagation. Notably, we uncover that the Bogoliubov mode coupling acts as a tunable channel for mediating spin angular momentum transfer within the cavity, offering a novel route for engineering compact, quantum-coherent spin-orbit photonic devices.