Publications

Order by: publication date number of citations

• Towards a quantum fluid theory of correlated many-fermion systems from first principles

  Z. A. Moldabekov, T. Dornheim, G. Gregori, F. Graziani, M. Bonitz, A. Cangi

  SciPost Phys. 12, 062 (2022) · published 16 February 2022 | Toggle abstract · pdf

  Correlated many-fermion systems emerge in a broad range of phenomena in warm dense matter, plasmonics, and ultracold atoms. Quantum hydrodynamics (QHD) complements first-principles methods for many-fermion systems at larger scales. We illustrate the failure of the standard Bohm potential central to QHD for strong perturbations when the density perturbation is larger than about $10^{-3}$ of the mean density. We then extend QHD to this regime via the \emph{many-fermion Bohm potential} from first-principles. This may lead to more accurate QHD simulations beyond their common application domain in the presence of strong perturbations at scales unattainable with first-principles methods.

  18 citations

• A tool to check whether a symmetry-compensated collinear magnetic material is antiferro- or altermagnetic

  Andriy Smolyanyuk, Libor Šmejkal, Igor I. Mazin

  SciPost Phys. Codebases 30 (2024) · published 12 June 2024 | Toggle abstract · pdf

  Altermagnets (AM) is a recently discovered class of collinear magnets that share some properties (anomalous transport, etc) with ferromagnets, some (zero net magnetization) with antiferromagnets, while also exhibiting unique properties (spin-splitting of electronic bands and resulting spin-splitter current). Since the moment compensation in AM is driven by symmetry, it must be possible to identify them by analyzing the crystal structure directly, without computing the electronic structure. Given the significant potential of AM for spintronics, it is very useful to have a tool for such an analysis. This work presents an open-access code implementing such a direct check.

  18 citations

• Peacock patterns and new integer invariants in topological string theory

  Jie Gu, Marcos Mariño

  SciPost Phys. 12, 058 (2022) · published 11 February 2022 | Toggle abstract · pdf

  Topological string theory near the conifold point of a Calabi-Yau threefold gives rise to factorially divergent power series which encode the all-genus enumerative information. These series lead to infinite towers of singularities in their Borel plane (also known as "peacock patterns"), and we conjecture that the corresponding Stokes constants are integer invariants of the Calabi-Yau threefold. We calculate these Stokes constants in some toric examples, confirming our conjecture and providing in some cases explicit generating functions for the new integer invariants, in the form of q-series. Our calculations in the toric case rely on the TS/ST correspondence, which promotes the asymptotic series near the conifold point to spectral traces of operators, and makes it easier to identify the Stokes data. The resulting mathematical structure turns out to be very similar to the one of complex Chern-Simons theory. In particular, spectral traces correspond to state integral invariants and factorize in holomorphic/anti-holomorphic blocks.

  18 citations

• Codebase release 8.3 for PYTHIA

  Christian Bierlich, Smita Chakraborty, Nishita Desai, Leif Gellersen, Ilkka Helenius, Philip Ilten, Leif Lönnblad, Stephen Mrenna, Stefan Prestel, Christian T. Preuss, Torbjörn Sjöstrand, Peter Skands, Marius Utheim, Rob Verheyen

  SciPost Phys. Codebases 8-r8.3 (2022) · published 10 November 2022 | Toggle abstract · src

  This manual describes the Pythia event generator, the most recent version of an evolving physics tool used to answer fundamental questions in particle physics. The program is most often used to generate high-energy-physics collision "events", i.e. sets of particles produced in association with the collision of two incoming high-energy particles, but has several uses beyond that. The guiding philosophy is to produce and re-produce properties of experimentally obtained collisions as accurately as possible. The program includes a wide ranges of reactions within and beyond the Standard Model, and extending to heavy ion physics. Emphasis is put on phenomena where strong interactions play a major role. The manual contains both pedagogical and practical components. All included physics models are described in enough detail to allow the user to obtain a cursory overview of used assumptions and approximations, enabling an informed evaluation of the program output. A number of the most central algorithms are described in enough detail that the main results of the program can be reproduced independently, allowing further development of existing models or the addition of new ones. Finally, a chapter dedicated fully to the user is included towards the end, providing pedagogical examples of standard use cases, and a detailed description of a number of external interfaces. The program code, the online manual, and the latest version of this print manual can be found on the Pythia web page: https://www.pythia.org/.

  18 citations

• Renormalization to localization without a small parameter

  Anton G. Kutlin, Ivan M. Khaymovich

  SciPost Phys. 8, 049 (2020) · published 1 April 2020 | Toggle abstract · pdf

  We study the wave function localization properties in a d-dimensional model of randomly spaced particles with isotropic hopping potential depending solely on Euclidean interparticle distances. Due to the generality of this model usually called the Euclidean random matrix model, it arises naturally in various physical contexts such as studies of vibrational modes, artificial atomic systems, liquids and glasses, ultracold gases and photon localization phenomena. We generalize the known Burin-Levitov renormalization group approach, formulate universal conditions sufficient for localization in such models and inspect a striking equivalence of the wave function spatial decay between Euclidean random matrices and translation-invariant long-range lattice models with a diagonal disorder.

  18 citations

• Statistical mechanics of coupled supercooled liquids in finite dimensions

  Benjamin Guiselin, Ludovic Berthier, Gilles Tarjus

  SciPost Phys. 12, 091 (2022) · published 14 March 2022 | Toggle abstract · pdf

  We study the statistical mechanics of supercooled liquids when the system evolves at a temperature $T$ with a field $\epsilon$ linearly coupled to its overlap with a reference configuration of the same liquid sampled at a temperature $T_0$. We use mean-field theory to fully characterize the influence of the reference temperature $T_0$, and we mainly study the case of a fixed, low-$T_0$ value in computer simulations. We numerically investigate the extended phase diagram in the $(\epsilon,T)$ plane of model glass-forming liquids in spatial dimensions $d=2$ and $d=3$, relying on umbrella sampling and reweighting techniques. For both $2d$ and $3d$ cases, a similar phenomenology with nontrivial thermodynamic fluctuations of the overlap is observed at low temperatures, but a detailed finite-size analysis reveals qualitatively distinct behaviors. We establish the existence of a first-order transition line for nonzero $\epsilon$ ending in a critical point in the universality class of the random-field Ising model (RFIM) in $d=3$. In $d=2$ instead, no phase transition is found in large enough systems at least down to temperatures below the extrapolated calorimetric glass transition temperature $T_g$. Our results confirm that glass-forming liquid samples of limited size display the thermodynamic fluctuations expected for finite systems undergoing a random first-order transition. They also support the relevance of the physics of the RFIM for supercooled liquids, which may then explain the qualitative difference between $2d$ and $3d$ glass-formers.

  18 citations

• Quantum bounds and fluctuation-dissipation relations

  Silvia Pappalardi, Laura Foini, Jorge Kurchan

  SciPost Phys. 12, 130 (2022) · published 14 April 2022 | Toggle abstract · pdf

  In recent years, there has been intense attention on the constraints posed by quantum mechanics on the dynamics of the correlation at low temperatures, triggered by the postulation and derivation of quantum bounds on the transport coefficients or on the chaos rate. However, the physical meaning and the mechanism enforcing such bounds is still an open question. Here, we discuss the quantum fluctuation-dissipation theorem (the KMS conditions) as the principle underlying bounds on correlation time scales. By restating the problem in a replicated space, we show that the quantum bound to chaos is a direct consequence of the KMS condition, as applied to a particular pair of two-time correlation and response functions. Encouraged by this, we describe how quantum fluctuation-dissipation relations act in general as a blurring of the time-dependence of correlations, which can imply bounds on their decay rates. Thinking in terms of fluctuation-dissipation opens a direct connection between bounds and other thermodynamic properties.

  18 citations

• Electronic excitations of the charged nitrogen-vacancy center in diamond obtained using time-independent variational density functional calculations

  Aleksei V. Ivanov, Yorick L. A. Schmerwitz, Gianluca Levi, Hannes Jónsson

  SciPost Phys. 15, 009 (2023) · published 13 July 2023 | Toggle abstract · pdf

  Elucidation of the mechanism for optical spin initialization of point defects in solids in the context of quantum applications requires an accurate description of the excited electronic states involved. While variational density functional calculations have been successful in describing the ground state of a great variety of systems, doubts have been expressed in the literature regarding the ability of such calculations to describe electronic excitations of point defects. A direct orbital optimization method is used here to perform time-independent, variational density functional calculations of a prototypical defect, the negatively charged nitrogen-vacancy center in diamond. The calculations include up to 511 atoms subject to periodic boundary conditions and the excited state calculations require similar computational effort as ground state calculations. Contrary to some previous reports, the use of local and semilocal density functionals gives the correct ordering of the low-lying triplet and singlet states, namely ${}^{3}A_2 < {}^{1}E < {}^{1}A_1 < {}^{3}E$. Furthermore, the more advanced meta generalized gradient approximation functionals give results that are in remarkably good agreement with high-level, many-body calculations as well as available experimental estimates, even for the excited singlet state which is often referred to as having multireference character. The lowering of the energy in the triplet excited state as the atom coordinates are optimized in accordance with analytical forces is also close to the experimental estimate and the resulting zero-phonon line triplet excitation energy is underestimated by only 0.15 eV. The approach used here is found to be a promising tool for studying electronic excitations of point defects in, for example, systems relevant for quantum technologies.

  18 citations

• Scattering description of Andreev molecules

  Jean-Damien Pillet, Vincent Benzoni, Joël Griesmar, Jean-Loup Smirr, Çaǧlar Ö. Girit

  SciPost Phys. Core 2, 009 (2020) · published 11 June 2020 | Toggle abstract · pdf

  An Andreev molecule is a system of closely spaced superconducting weak links accommodating overlapping Andreev Bound States. Recent theoretical proposals have considered one-dimensional Andreev molecules with a single conduction channel. Here we apply the scattering formalism and extend the analysis to multiple conduction channels, a situation encountered in epitaxial superconductor/semiconductor weak links. We obtain the multi-channel bound state energy spectrum and quantify the contribution of the microscopic non-local processes leading to the formation of Andreev molecules.

  18 citations

• Honeycomb rare-earth magnets with anisotropic exchange interactions

  Zhu-Xi Luo, Gang Chen

  SciPost Phys. Core 3, 004 (2020) · published 4 September 2020 | Toggle abstract · pdf

  We study the rare-earth magnets on a honeycomb lattice, and are particularly interested in the experimental consequences of the highly anisotropic spin interaction due to the spin-orbit entanglement. We perform a high-temperature series expansion using a generic nearest-neighbor Hamiltonian with anisotropic interactions, and obtain the heat capacity, the parallel and perpendicular spin susceptibilities, and the magnetic torque coefficients. We further examine the electron spin resonance linewidth as an important signature of the anisotropic spin interactions. Due to the small interaction energy scale of the rare-earth moments, it is experimentally feasible to realize the strong-field regime. Therefore, we perform the spin-wave analysis and study the possibility of topological magnons when a strong field is applied to the system. The application and relevance to the rare-earth Kitaev materials are discussed.

  18 citations