Publications

Order by: publication date number of citations

• Quantifying uncertainties in crystal electric field Hamiltonian fits to neutron data

  Allen Scheie

  SciPost Phys. Core 5, 018 (2022) · published 31 March 2022 | Toggle abstract · pdf

  We systematically examine uncertainties from fitting rare earth single-ion crystal electric field (CEF) Hamiltonians to inelastic neutron scattering data. Using pyrochlore and delafossite structures as test cases, we find that uncertainty in CEF parameters can be large despite visually excellent fits. These results show Yb$^{3+}$ compounds have particularly large $g$-tensor uncertainty because of the few available peaks. In such cases, additional constraints are necessary for meaningful fits.

  2 citations

• Projective cluster-additive transformation for quantum lattice models

  Max Hörmann, Kai P. Schmidt

  SciPost Phys. 15, 097 (2023) · published 15 September 2023 | Toggle abstract · pdf

  We construct a projection-based cluster-additive transformation that block-diagonalizes wide classes of lattice Hamiltonians $\mathcal{H}=\mathcal{H}_0 +V$. Its cluster additivity is an essential ingredient to set up perturbative or non-perturbative linked-cluster expansions for degenerate excitation subspaces of $\mathcal{H}_0$. Our transformation generalizes the minimal transformation known amongst others under the names Takahashi's transformation, Schrieffer-Wolff transformation, des Cloiseaux effective Hamiltonian, canonical van Vleck effective Hamiltonian or two-block orthogonalization method. The effective cluster-additive Hamiltonian and the transformation for a given subspace of $\mathcal{H}$, that is adiabatically connected to the eigenspace of $\mathcal{H}_0$ with eigenvalue $e_0^n$, solely depends on the eigenspaces of $\mathcal{H}$ connected to $e_0^m$ with $e_0^m≤ e_0^n$. In contrast, other cluster-additive transformations like the multi-block orthogonalization method or perturbative continuous unitary transformations need a larger basis. This can be exploited to implement the transformation efficiently both perturbatively and non-perturbatively. As a benchmark, we perform perturbative and non-perturbative linked-cluster expansions in the low-field ordered phase of the transverse-field Ising model on the square lattice for single spin-flips and two spin-flip bound-states.

  2 citations

• Formation of CuO$_2$ sublattices by suppression of interlattice correlations in tetragonal CuO

  Max Bramberger, Benjamin Bacq-Labreuil, Martin Grundner, Silke Biermann, Ulrich Schollwöck, Sebastian Paeckel, Benjamin Lenz

  SciPost Phys. 14, 010 (2023) · published 31 January 2023 | Toggle abstract · pdf

  We investigate the tetragonal phase of the binary transition metal oxide CuO (t-CuO) within the context of cellular dynamical mean-field theory. Due to its strong antiferromagnetic correlations and simple structure, analysing the physics of t-CuO is of high interest as it may pave the way towards a more complete understanding of high-temperature superconductivity in hole-doped antiferromagnets. In this work we give a formal justification for the weak-coupling assumption that has previously been made for the interconnected sublattices within a single layer of t-CuO by studying the non-local self-energies of the system. We compute momentum-resolved spectral functions using a Matrix Product State (MPS)-based impurity solver directly on the real axis, which does not require any numerically ill-conditioned analytic continuation. The agreement with photoemission spectroscopy indicates that a single-band Hubbard model is sufficient to capture the material's low energy physics. We perform calculations on a range of different temperatures, finding two magnetic regimes, for which we identify the driving mechanism behind their respective insulating state. Finally, we show that in the hole-doped regime the sublattice structure of t-CuO has interesting consequences on the symmetry of the superconducting state.

  2 citations

• Coarse-grained curvature tensor on polygonal surfaces

  Charlie Duclut, Aboutaleb Amiri, Joris Paijmans, Frank Jülicher

  SciPost Phys. Core 5, 011 (2022) · published 11 March 2022 | Toggle abstract · pdf

  Using concepts from integral geometry, we propose a definition for a local coarse-grained curvature tensor that is well-defined on polygonal surfaces. This coarse-grained curvature tensor shows fast convergence to the curvature tensor of smooth surfaces, capturing with accuracy not only the principal curvatures but also the principal directions of curvature. Thanks to the additivity of the integrated curvature tensor, coarse-graining procedures can be implemented to compute it over arbitrary patches of polygons. When computed for a closed surface, the integrated curvature tensor is identical to a rank-2 Minkowski tensor. We also provide an algorithm to extend an existing C++ package, that can be used to compute efficiently local curvature tensors on triangulated surfaces.

  2 citations

• Temperature dependence of quasiparticle interference in $d$-wave superconductors

  Harun Al Rashid, Garima Goyal, Alireza Akbari, Dheeraj Kumar Singh

  SciPost Phys. Core 6, 033 (2023) · published 24 April 2023 | Toggle abstract · pdf

  We investigate the temperature dependence of quasiparticle interference in the high $T_c$-cuprates using an exact-diagonalization + Monte-Carlo based scheme to simulate the $d$-wave superconducting order parameter. The quasiparticle interference patterns have features largely resulting from the scattering vectors of the octet model at lower temperature. Our findings suggest that the features of quasiparticle interference in the pseudogap region of the phase diagram are also dominated by the set of scattering vectors belonging to the octet model because of the persisting antinodal gap beyond the superconducting transition $T_c$. However, beyond a temperature when the antinodal gap becomes very small, a set of scattering vectors different from those belonging to the octet model are responsible for the quasiparticle interference patterns. With a rise in temperature, the patterns are increasingly broadened.

  2 citations

• Extracting subleading corrections in entanglement entropy at quantum phase transitions

  Menghan Song, Jiarui Zhao, Zi Yang Meng, Cenke Xu, Meng Cheng

  SciPost Phys. 17, 010 (2024) · published 11 July 2024 | Toggle abstract · pdf

  We systematically investigate the finite size scaling behavior of the Rényi entanglement entropy (EE) of several representative 2d quantum many-body systems between a subregion and its complement, with smooth boundaries as well as boundaries with corners. In order to reveal the subleading correction, we investigate the quantity "subtracted EE" $S^s(l) = S(2l) - 2S(l)$ for each model, which is designed to cancel out the leading perimeter law. We find that (1) for a spin-1/2 model on a 2d square lattice whose ground state is the Neel order, the coefficient of the logarithmic correction to the perimeter law is consistent with the prediction based on the Goldstone modes; (2) for the $(2+1)d$ O(3) Wilson-Fisher quantum critical point (QCP), realized with the bilayer antiferromagnetic Heisenberg model, a logarithmic subleading correction exists when there is sharp corner of the subregion, but for subregion with a smooth boundary our data suggests the absence of the logarithmic correction to the best of our efforts; (3) for the $(2+1)d$ SU(2) J-Q$_2$ and J-Q$_3$ model for the deconfined quantum critical point (DQCP), we find a logarithmic correction for the EE even with smooth boundary.

  2 citations

• Codebase release r0.3 for SmoQyDQMC.jl

  Benjamin Cohen-Stead, Sohan Malkaruge Costa, James Neuhaus, Andy Tanjaroon Ly, Yutan Zhang, Richard Scalettar, Kipton Barros, Steven Johnston

  SciPost Phys. Codebases 29-r0.3 (2024) · published 28 May 2024 | Toggle abstract · src

  We introduce the SmoQyDQMC.jl package, a Julia implementation of the determinant quantum Monte Carlo algorithm. SmoQyDQMC.jl supports generalized tight-binding Hamiltonians with on-site Hubbard and generalized electron-phonon ($e$-ph) interactions, including non-linear $e$-ph coupling and anharmonic lattice potentials. Our implementation uses hybrid Monte Carlo methods with exact forces for sampling the phonon fields, enabling efficient simulation of low-energy phonon branches, including acoustic phonons. The SmoQyDQMC.jl package also uses a flexible scripting interface, allowing users to adapt it to different workflows and interface with other software packages in the Julia ecosystem. The code for this package can be downloaded from our GitHub repository at https://github.com/SmoQySuite/SmoQyDQMC.jl or installed using the Julia package manager. The online documentation, including examples, can be obtained from our document page at https://smoqysuite.github.io/SmoQyDQMC.jl/stable/.

  2 citations

• CFT and lattice correlators near an RG domain wall between minimal models

  Cameron V. Cogburn, Andrew Liam Fitzpatrick, Hao Geng

  SciPost Phys. Core 7, 021 (2024) · published 19 April 2024 | Toggle abstract · pdf

  Conformal interfaces separating two conformal field theories (CFTs) provide maps between different CFTs, and naturally exist in nature as domain walls between different phases. One particularly interesting construction of a conformal interface is the renormalization group (RG) domain wall between CFTs. For a given Virasoro minimal model $\mathcal{M}_{k+3,k+2}$, an RG domain wall can be generated by a specific deformation which triggers an RG flow towards its adjacent Virasoro minimal model $\mathcal{M}_{k+2,k+1}$ with the deformation turned on over part of the space. An algebraic construction of this domain wall was proposed by Gaiotto in [J. High Energy Phys. 12, 103 (2012)]. In this paper, we will provide a study of this RG domain wall for the minimal case $k=2$, which can be thought of as a nonperturbative check of the construction. In this case the wall is separating the Tricritical Ising Model (TIM) CFT and the Ising Model (IM) CFT. We will check the analytical results of correlation functions from the RG brane construction with the numerical density matrix renormalization group (DMRG) calculation using a lattice model proposed in [arXiv.1206.1332, Science 344, 280 (2014)], and find a perfect agreement. We comment on possible experimental realizations of this RG domain wall.

  2 citations

• Quantum droplets with particle imbalance in one-dimensional optical lattices

  Jofre Vallès-Muns, Ivan Morera, Grigori E. Astrakharchik, Bruno Juliá-Díaz

  SciPost Phys. 16, 074 (2024) · published 13 March 2024 | Toggle abstract · pdf

  We study the formation of particle-imbalanced quantum droplets in a one-dimensional optical lattice containing a binary bosonic mixture at zero temperature. To understand the effects of the imbalance from both the few- and many-body perspectives, we employ density matrix renormalization group (DMRG) simulations and perform the extrapolation to the thermodynamic limit. In contrast to the particle-balanced case, not all bosons are paired, resulting in an interplay between bound states and individual atoms that leads to intriguing phenomena. Quantum droplets manage to sustain a small particle imbalance, resulting in an effective magnetization. However, as the imbalance is further increased, a critical point is eventually crossed, and the droplets start to expel the excess particles while the magnetization in the bulk remains constant. Remarkably, the unpaired particles on top of the quantum droplet effectively form a super Tonks-Girardeau (hard-rod) gas. The expulsion point coincides with the critical density at which the size of the super Tonks-Girardeau gas matches the size of the droplet.

  2 citations

• Critical properties of a comb lattice

  Natalia Chepiga, Steven R. White

  SciPost Phys. 9, 013 (2020) · published 27 July 2020 | Toggle abstract · pdf

  In this paper we study the critical properties of the Heisenberg spin-1/2 model on a comb lattice -- a 1D backbone decorated with finite 1D chains -- the teeth. We address the problem numerically by a comb tensor network that duplicates the geometry of a lattice. We observe a fundamental difference between the states on a comb with even and odd number of sites per tooth, which resembles an even-odd effect in spin-1/2 ladders. The comb with odd teeth is always critical, not only along the teeth, but also along the backbone, which leads to a competition between two critical regimes in orthogonal directions. In addition, we show that in a weak-backbone limit the excitation energy scales as $1/(NL)$, and not as $1/N$ or $1/L$ typical for 1D systems. For even teeth in the weak backbone limit the system corresponds to a collection of decoupled critical chains of length $L$, while in the strong backbone limit, one spin from each tooth forms the backbone, so the effective length of a critical tooth is one site shorter, $L-1$. Surprisingly, these two regimes are connected via a state where a critical chain spans over two nearest neighbor teeth, with an effective length $2L$.

  2 citations