Publications

Order by: publication date number of citations

• Codebase release 0.0 for DFT2kp

  João Victor V. Cassiano, Augusto de Lelis Araújo, Paulo E. Faria Junior, Gerson J. Ferreira

  SciPost Phys. Codebases 25-r0.0 (2024) · published 5 February 2024 | Toggle abstract · src

  The $k\cdot p$ method, combined with group theory, is an efficient approach to obtain the low energy effective Hamiltonians of crystalline materials. Although the Hamiltonian coefficients are written as matrix elements of the generalized momentum operator $\pi= p+ p_{SOC}$ (including spin-orbit coupling corrections), their numerical values must be determined from outside sources, such as experiments or ab initio methods. Here, we develop a code to explicitly calculate the Kane (linear in crystal momentum) and Luttinger (quadratic in crystal momentum) parameters of $k\cdot p$ effective Hamiltonians directly from ab initio wavefunctions provided by Quantum ESPRESSO. Additionally, the code analyzes the symmetry transformations of the wavefunctions to optimize the final Hamiltonian. This is an optional step in the code, where it numerically finds the unitary transformation $U$ that rotates the basis towards an optimal symmetry-adapted representation informed by the user. Throughout the paper, we present the methodology in detail and illustrate the capabilities of the code applying it to a selection of relevant materials. Particularly, we show a "hands-on" example of how to run the code for graphene (with and without spin-orbit coupling). The code is open source and available at https://gitlab.com/dft2kp/dft2kp.

  2 citations

• Transport and magnetic properties in the Nd diluted system Y$_{1-x}$Nd$_{x}$Co$_{2}$Zn$_{20}$

  Rikako Yamamoto, Yasuyuki Shimura, Kazunori Umeo, Toshiro Takabatake, Takahiro Onimaru

  SciPost Phys. Proc. 11, 010 (2023) · published 5 June 2023 | Toggle abstract · pdf

  We report the electrical resistivity, specific heat, and magnetization measurements of Y$_{1-x}$Nd$_{x}$Co$_{2}$Zn$_{20}$ for $0.017 \leq x \leq 0.95$. The Schottky-type specific heat peak at around 13 K for all the samples is reproduced by the crystalline electric field model with the $\Gamma_{6}$ doublet ground state of a Nd$^{3+}$ ion. The magnetization and magnetic susceptibility data of the samples for $x \leq 0.06$ are well reproduced by the calculation without intersite magnetic interactions among Nd moments. Therefore, the dilute Nd system Y$_{1-x}$Nd$_{x}$Co$_{2}$Zn$_{20}$ for $x \leq 0.06$ is a good candidate to study on-site interaction of the $\Gamma_{6}$ doublet ground state of 4$f$ electrons with conduction electrons.

  2 citations

• Nonequilibrium probability currents in optically-driven colloidal suspensions

  Samudrajit Thapa, Daniel Zaretzky, Ron Vatash, Grzegorz Gradziuk, Chase Broedersz, Yair Shokef, Yael Roichman

  SciPost Phys. 17, 096 (2024) · published 1 October 2024 | Toggle abstract · pdf

  In the absence of directional motion it is often hard to recognize athermal fluctuations. Probability currents provide such a measure in terms of the rate at which they enclose area in the reduced phase space. We measure this area enclosing rate for trapped colloidal particles, where only one particle is driven. By combining experiment, theory, and simulation, we single out the effect of the different time scales in the system on the measured probability currents. In this controlled experimental setup, particles interact hydrodynamically. These interactions lead to a strong spatial dependence of the probability currents and to a local influence of athermal agitation. In a multiple-particle system, we show that even when the driving acts only on one particle, probability currents occur between other, non-driven particles. This may have significant implications for the interpretation of fluctuations in biological systems containing elastic networks in addition to a suspending fluid.

  2 citations

• Correlation between antiferromagnetic and charge-density-wave order in UPt$_{2}$Si$_{2}$ studied by resonant X-Ray scattering

  Fusako Kon, Chihiro Tabata, Kodai Miura, Ruo Hibino, Hiroyuki Hidaka, Tatsuya Yanagisawa, Hironori Nakao, Hiroshi Amitsuka

  SciPost Phys. Proc. 11, 011 (2023) · published 5 June 2023 | Toggle abstract · pdf

  Relationship between antiferromagnetic order with Néel temperature of 35 K and charge-density-wave (CDW) order below 320 K of UPt$_2$Si$_2$ has been investigated by resonant X-ray scattering measurements. We have found that a resonant scattering signal develops below the Néel temperature at the ${ M}_{ 4}$ absorption edge of uranium with a propagation vector of the CDW order ${ q}_{ CDW} \sim$ (0.42, 0, 0). The experimental results reveal that the magnetic structure of UPt$_2$Si$_2$ is modulated by the CDW ordering.

  2 citations

• Charge order and antiferromagnetism in twisted bilayer graphene from the variational cluster approximation

  B. Pahlevanzadeh, P. Sahebsara, D. Sénéchal

  SciPost Phys. 13, 040 (2022) · published 30 August 2022 | Toggle abstract · pdf

  We study the possibility of charge order at quarter filling and antiferromagnetism at half-filling in a tight-binding model of magic angle twisted bilayer graphene. We build on the model proposed by Kang and Vafek, relevant to a twist angle of $1.30^\circ$, and add on-site and extended density-density interactions. Applying the variational cluster approximation with an exact-diagonalization impurity solver, we find that the system is indeed a correlated (Mott) insulator at fillings $\frac14$, $\frac12$ and $\frac34$. At quarter filling, we check that the most probable charge orders do not arise, for all values of the interaction tested. At half-filling, antiferromagnetism only arises if the local repulsion $U$ is sufficiently large compared to the extended interactions, beyond what is expected from the simplest model of extended interactions.

  2 citations

• On symmetry-resolved generalized entropies

  Fei Yan, Sara Murciano, Pasquale Calabrese, Robert Konik

  SciPost Phys. 18, 211 (2025) · published 27 June 2025 | Toggle abstract · pdf

  Symmetry-resolved entanglement, capturing the refined structure of quantum entanglement in systems with global symmetries, has attracted a lot of attention recently. In this manuscript, introducing the notion of symmetry-resolved generalized entropies, we aim to develop a computational framework suitable for the study of excited state symmetry-resolved entanglement as well as the dynamical evolution of symmetry-resolved entanglement in symmetry-preserving out-of-equilibrium settings. We illustrate our framework using the example of (1+1)-d free massless compact boson theory, and benchmark our results using lattice computation in the XX chain. As a byproduct, our computational framework also provides access to the probability distribution of the symmetry charge contained within a subsystem and the corresponding full counting statistics.

  2 citations

• General features and contact modeling of $N$-body isolated resonances near threshold

  Ludovic Pricoupenko

  SciPost Phys. 17, 108 (2024) · published 8 October 2024 | Toggle abstract · pdf

  $N$-body non efimovian bound or quasi-bound states for particles with short range interactions are considered in arbitrary dimensions. The different resonance regimes near the threshold are depicted by using a generalization of the effective range approximation. This two-parameter description can be used in various contexts from ultracold to hadronic physics. The universal character of these states makes it possible a formulation in terms of a contact model. The singularity at the contact imposes the introduction of a modified scalar product to solve the normalization catastrophe and to restore the self-adjoint character of the model. An equivalence with the standard scalar product used for realistic finite range models is derived.

  2 citations

• Latest Belle results on Tau decays

  Yifan Jin, Denis Epifanov, Hiroaki Aihara

  SciPost Phys. Proc. 1, 002 (2019) · published 18 February 2019 | Toggle abstract · pdf

  We present preliminary results of a latest measurement at Belle, the branching fraction of rare tau decay, $\tau^- \rightarrow \pi^- \nu_{\tau} \ell^+ \ell^-$ ($\ell = e$ or $\mu$), using a 562 $\rm fb^{-1}$\ data set. The branching fraction of $\tau^- \rightarrow \pi^- e^+ e^- \nu_\tau$ is measured to be $\mathbf{ \mathcal{B}(\tau^-\rightarrow \pi^- e^+ e^- \nu_\tau) = (2.11 \pm 0.19 \pm 0.30) \times 10^{-5}}$, where the first uncertainty is statistical and the second is systematic. An upper limit is set on the branching fraction of $\tau^- \rightarrow \pi^- \mu^+ \mu^- \nu_\tau$, $\mathbf{\mathcal{B}(\tau^-\rightarrow \pi^- \mu^+ \mu^- \nu_\tau) < 1.06 \times 10^{-5}}$, at 90\% confidence level.

  2 citations

• Learning crystal field parameters using convolutional neural networks

  Noah F. Berthusen, Yuriy Sizyuk, Mathias S. Scheurer, Peter P. Orth

  SciPost Phys. 11, 011 (2021) · published 14 July 2021 | Toggle abstract · pdf

  We present a deep machine learning algorithm to extract crystal field (CF) Stevens parameters from thermodynamic data of rare-earth magnetic materials. The algorithm employs a two-dimensional convolutional neural network (CNN) that is trained on magnetization, magnetic susceptibility and specific heat data that is calculated theoretically within the single-ion approximation and further processed using a standard wavelet transformation. We apply the method to crystal fields of cubic, hexagonal and tetragonal symmetry and for both integer and half-integer total angular momentum values $J$ of the ground state multiplet. We evaluate its performance on both theoretically generated synthetic and previously published experimental data on CeAgSb$_2$, PrAgSb$_2$ and PrMg$_2$Cu$_9$, and find that it can reliably and accurately extract the CF parameters for all site symmetries and values of $J$ considered. This demonstrates that CNNs provide an unbiased approach to extracting CF parameters that avoids tedious multi-parameter fitting procedures.

  2 citations

• Higher spin partition functions via the quasinormal mode method in de Sitter quantum gravity

  Victoria L. Martin, Andrew Svesko

  SciPost Phys. 9, 039 (2020) · published 14 September 2020 | Toggle abstract · pdf

  In this note we compute the 1-loop partition function of spin-$s$ fields on Euclidean de Sitter space $S^{2n+1}$ using the quasinormal mode method. Instead of computing the quasinormal mode frequencies from scratch, we use the analytic continuation prescription $L_{\text{AdS}}\to iL_{\text{dS}}$, appearing in the dS/CFT correspondence, and Wick rotate the normal mode frequencies of fields on thermal $\text{AdS}_{2n+1}$ into the quasinormal mode frequencies of fields on de Sitter space. We compare the quasinormal mode and heat kernel methods of calculating 1-loop determinants, finding exact agreement, and furthermore explicitly relate these methods via a sum over the conformal dimension. We discuss how the Wick rotation of normal modes on thermal $\text{AdS}_{2n+1}$ can be generalized to calculating 1-loop partition functions on the thermal spherical quotients $S^{2n+1}/\mathbb{Z}_{p}$. We further show that the quasinormal mode frequencies encode the group theoretic structure of the spherical spacetimes in question, analogous to the recent analysis made for thermal AdS in (1910.07607) and (1910.11913).

  2 citations