Publications

Order by: publication date number of citations

• DFT2kp: Effective kp models from ab-initio data

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

  SciPost Phys. Codebases 25 (2024) · published 5 February 2024 | Toggle abstract · pdf

  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.

  1 citation

• Measurement of spin correlation coefficients p-$^{3}$He scattering at 65 MeV

  M. Inoue, K. Sekiguchi, K. Miki, A. Watanabe, S. Nakai, S. Shibuya, D. Sakai, Y. Utsuki, H. Umetsu, K. Hatanaka, H. Kanda, H. J. Ong, T. Wakasa, S. Goto, S. Mitsumoto, D. Inomoto, H. Kasahara, T. Ino, H. Sakai, Y. Maeda, K. Nonaka, T. Wakui, M. Itoh

  SciPost Phys. Proc. 3, 004 (2020) · published 24 February 2020 | Toggle abstract · pdf

  We performed the experiment of p–$^{3}$He scattering at 65 MeV by using polarized proton beams and the newly constructed polarized $^{3}$He target. The proton analyzing power $A_{y}$, the 3He analyzing power $A^{T}_{y}$, and the spin correlation coefficient $C_{yy}$ were measured. In the conference, the experimental data were compared with the rigorous numerical calculations based on various nuclear potentials. Large discrepancies between the experimental data and the calculations were found in the $A^{T}_{y}$ and the $C_{yy}$ at the backward angles.

  1 citation

• A path integral ground state Monte Carlo algorithm for entanglement of lattice bosons

  Emanuel Casiano-Diaz, C. M. Herdman, Adrian Del Maestro

  SciPost Phys. 14, 054 (2023) · published 29 March 2023 | Toggle abstract · pdf

  A ground state path integral quantum Monte Carlo algorithm is introduced that allows for the study of entanglement in lattice bosons at zero temperature. The Rényi entanglement entropy between spatial subregions is explored across the phase diagram of the one dimensional Bose-Hubbard model for systems consisting of up to $L=256$ sites at unit-filling without any restrictions on site occupancy, far beyond the reach of exact diagonalization. The favorable scaling of the algorithm is demonstrated through a further measurement of the Rényi entanglement entropy at the two dimensional superfluid-insulator critical point for large system sizes, confirming the existence of the expected entanglement boundary law in the ground state. The Rényi estimator is extended to measure the symmetry resolved entanglement that is operationally accessible as a resource for experimentally relevant lattice gases with fixed total particle number.

  1 citation

• Optimal control of a quantum sensor: A fast algorithm based on an analytic solution

  Santiago Hernández-Gómez, Federico Balducci, Giovanni Fasiolo, Paola Cappellaro, Nicole Fabbri, Antonello Scardicchio

  SciPost Phys. 17, 004 (2024) · published 4 July 2024 | Toggle abstract · pdf

  Quantum sensors can show unprecedented sensitivities, provided they are controlled in a very specific, optimal way. Here, we consider a spin sensor of time-varying fields in the presence of dephasing noise, and we show that the problem of finding the pulsed control field that optimizes the sensitivity (i.e., the smallest detectable signal) can be mapped to the determination of the ground state of a spin chain. We find an approximate but analytic solution of this problem, which provides a lower bound for the sensitivity and a pulsed control very close to optimal, which we further use as initial guess for realizing a fast simulated annealing algorithm. We experimentally demonstrate the sensitivity improvement for a spin-qubit magnetometer based on a nitrogen-vacancy center in diamond.

  1 citation

• Fingerprints of quantum criticality in locally resolved transport

  Xiaoyang Huang, Andrew Lucas

  SciPost Phys. 13, 004 (2022) · published 21 July 2022 | Toggle abstract · pdf

  Understanding electrical transport in strange metals, including the seeming universality of Planckian $T$-linear resistivity, remains a longstanding challenge in condensed matter physics. We propose that local imaging techniques, such as nitrogen vacancy center magnetometry, can locally identify signatures of quantum critical response which are invisible in measurements of a bulk electrical resistivity. As an illustrative example, we use a minimal holographic model for a strange metal in two spatial dimensions to predict how electrical current will flow in regimes dominated by quantum critical dynamics on the Planckian length scale. We describe the crossover between quantum critical transport and hydrodynamic transport (including Ohmic regimes), both in charge neutral and finite density systems. We compare our holographic predictions to experiments on charge neutral graphene, finding quantitative agreement with available data; we suggest further experiments which may determine the relevance of our framework to transport on Planckian scales in this material. More broadly, we propose that locally imaged transport be used to test the universality (or lack thereof) of microscopic dynamics in the diverse set of quantum materials exhibiting $T$-linear resistivity.

  1 citation

• Holography for bulk states in 3D quantum gravity

  Joris Raeymaekers, Gideon Vos

  SciPost Phys. 15, 054 (2023) · published 8 August 2023 | Toggle abstract · pdf

  In this work we discuss the holographic description of states in the Hilbert space of (2+1)-dimensional quantum gravity, living on a time slice in the bulk. We focus on pure gravity coupled to pointlike sources for heavy spinning particles. We develop a formulation where the equations for the backreacted metric reduce to two decoupled Liouville equations with delta-function sources under pseudosphere boundary conditions. We show that both the semiclassical wavefunction and the gravity solution are determined by a universal object, namely a classical Virasoro vacuum block on the sphere. In doing so we derive a version of Polyakov's conjecture, as well as an existence criterion, for classical Liouville theory on the pseudosphere. We also discuss how some of these results are modified when considering closed universes with compact spatial slices.

  1 citation

• Universal Properties of Anisotropic Dipolar Bosons in Two Dimensions

  J. Sánchez-Baena, L. A. Peña Ardila, G. Astrakharchik, F. Mazzanti

  SciPost Phys. 13, 031 (2022) · published 25 August 2022 | Toggle abstract · pdf

  The energy of ultra-dilute quantum many-body systems is known to exhibit a universal dependence on the gas parameter $x=n a_0^d$, with $n$ the density, $d$ the dimensionality of the space ($d=1,2,3$) and $a_0$ the $s$-wave scattering length. The universal regime typically extends up to $x\approx 0.001$, while at larger values specific details of the interaction start to be relevant and different model potentials lead to different results. Dipolar systems are peculiar in this regard since the anisotropy of the interaction makes $a_0$ depend on the polarization angle $\alpha$, so different combinations of $n$ and $\alpha$ can lead to the same value of the gas parameter $x$. In this work we analyze the scaling properties of dipolar bosons in two dimensions as a function of the density and polarization dependent scattering length up to very large values of the gas parameter $x$. Using Quantum Monte Carlo (QMC) methods we study the energy and the main structural and coherence properties of the ground state of a gas of dipolar bosons by varying the density and scattering length for fixed gas parameter. We find that the dipolar interaction shows relevant scaling laws up to unusually large values of $x$ that hold almost to the boundaries in the phase diagram where a transition to a stripe phase takes place.

  1 citation

• Hydrodynamic fluctuations and topological susceptibility in chiral magnetohydrodynamics

  Arpit Das, Nabil Iqbal, Napat Poovuttikul

  SciPost Phys. 17, 042 (2024) · published 9 August 2024 | Toggle abstract · pdf

  Chiral magnetohydrodynamics is devoted to understanding the late-time and long-distance behavior of a system with an Adler-Bell-Jackiw anomaly at finite temperatures. The non-conservation of the axial charge is determined by the topological density $\vec{E} \cdot \vec{B}$; in a classical hydrodynamic description this decay rate can be suppressed by tuning the background magnetic field to zero. However it is in principle possible for thermal fluctuations of $\vec{E} \cdot \vec{B}$ to result in a non-conservation of the charge even at vanishing $B$-field; this would invalidate the classical hydrodynamic effective theory. We investigate this by computing the real-time susceptibility of the topological density at one-loop level in magnetohydrodynamic fluctuations, relating its low-frequency limit to the decay rate of the axial charge. We find that the frequency-dependence of this susceptibility is sufficiently soft as to leave the axial decay rate unaffected, validating the classical hydrodynamic description. We show that the susceptibility contains non-analytic frequency-dependence which is universally determined by hydrodynamic data. We comment briefly on possible connections to the recent formulation of the ABJ anomaly in terms of non-invertible symmetry.

  1 citation

• Transitions in Xenes between excitonic, topological and trivial insulator phases: Influence of screening, band dispersion and external electric field

  Olivia Pulci, Paola Gori, Davide Grassano, Marco D'Alessandro, Friedhelm Bechstedt

  SciPost Phys. 15, 025 (2023) · published 24 July 2023 | Toggle abstract · pdf

  Using a variational approach, the binding energies $E_b$ of the lowest bound excitons in Xenes under varying electric field are investigated. The internal exciton motion is described both by Dirac electron dispersion and in effective-mass approximation, while the screened electron-hole attraction is modeled by a Rytova-Keldysh potential with a 2D electronic polarizability $\alpha_{2D}$. The most important parameters as spin-orbit-induced gap $E_g$, Fermi velocity $v_F$ and $\alpha_{2D}$ are taken from ab initio density functional theory calculations. In addition, $\alpha_{2D}$ is approximated in two different ways. The relation of $E_b$ and $E_g$ is ruled by the screening. The existence of an excitonic insulator phase with $E_b>E_g$ sensitively depends on the chosen $\alpha_{2D}$. The values of $E_g$ and $\alpha_{2D}$ are strongly modified by a vertical external electric bias $U$, which defines a transition from the topological into a trivial insulator at $U=E_g/2$, with the exception of plumbene. Within the Dirac approximation, but also within the effective mass description of the kinetic energy, the treatment of screening dominates the appearance or non-appearance of an excitonic insulator phase. Gating does not change the results: the prediction done at zero electric field is confirmed when a vertical electric field is applied. Finally, Many-Body perturbation theory approaches based on the Green's function method, applied to stanene, confirm the absence of an excitonic insulator phase, thus validating our results obtained by ab initio modeling of $\alpha_{2D}$.

  1 citation

• Off-shell strings II: Black hole entropy

  Amr Ahmadain, Aron C. Wall

  SciPost Phys. 17, 006 (2024) · published 5 July 2024 | Toggle abstract · pdf

  In 1994, Susskind and Uglum argued that it is possible to derive the Bekenstein-Hawking entropy $A/4G_N$ from string theory. In this article we explain the conceptual underpinnings of this argument, while elucidating its relationship to induced gravity and ER=EPR. Following an off-shell calculation by Tseytlin, we explicitly derive the classical closed string effective action from sphere diagrams at leading order in $\alpha^{\prime}$. We then show how to use this to obtain black hole entropy from the RG flow of the NLSM on conical manifolds. (We also briefly discuss the more problematic "open string picture" of Susskind and Uglum, in which strings end on the horizon.) We then compare these off-shell results with the rival "orbifold replica trick" using the on-shell $\mathbb{C}/Z_{N}$ background, which does not account for the leading order Bekenstein-Hawking entropy-unless perhaps tachyons are allowed to condense on the orbifold. Possible connections to the ER=EPR conjecture are explored. Finally, we discuss prospects for various extensions, including prospects for deriving holographic entanglement entropy in the bulk of AdS.

  1 citation