@article{13233, abstract = {We study the impact of finite-range physics on the zero-range-model analysis of three-body recombination in ultracold atoms. We find that temperature dependence of the zero-range parameters can vary from one set of measurements to another as it may be driven by the distribution of error bars in the experiment, and not by the underlying three-body physics. To study finite-temperature effects in three-body recombination beyond the zero-range physics, we introduce and examine a finite-range model based upon a hyperspherical formalism. The systematic error discussed in this Letter may provide a significant contribution to the error bars of measured three-body parameters.}, author = {Agafonova, Sofya and Lemeshko, Mikhail and Volosniev, Artem}, issn = {2469-9934}, journal = {Physical Review A}, number = {6}, publisher = {American Physical Society}, title = {{Finite-range bias in fitting three-body loss to the zero-range model}}, doi = {10.1103/PhysRevA.107.L061304}, volume = {107}, year = {2023}, } @article{13251, abstract = {A rotating organic cation and a dynamically disordered soft inorganic cage are the hallmark features of organic-inorganic lead-halide perovskites. Understanding the interplay between these two subsystems is a challenging problem, but it is this coupling that is widely conjectured to be responsible for the unique behavior of photocarriers in these materials. In this work, we use the fact that the polarizability of the organic cation strongly depends on the ambient electrostatic environment to put the molecule forward as a sensitive probe of the local crystal fields inside the lattice cell. We measure the average polarizability of the C/N–H bond stretching mode by means of infrared spectroscopy, which allows us to deduce the character of the motion of the cation molecule, find the magnitude of the local crystal field, and place an estimate on the strength of the hydrogen bond between the hydrogen and halide atoms. Our results pave the way for understanding electric fields in lead-halide perovskites using infrared bond spectroscopy.}, author = {Wei, Yujing and Volosniev, Artem and Lorenc, Dusan and Zhumekenov, Ayan A. and Bakr, Osman M. and Lemeshko, Mikhail and Alpichshev, Zhanybek}, issn = {1948-7185}, journal = {The Journal of Physical Chemistry Letters}, keywords = {General Materials Science, Physical and Theoretical Chemistry}, number = {27}, pages = {6309--6314}, publisher = {American Chemical Society}, title = {{Bond polarizability as a probe of local crystal fields in hybrid lead-halide perovskites}}, doi = {10.1021/acs.jpclett.3c01158}, volume = {14}, year = {2023}, } @misc{13275, abstract = {We introduce a generic and accessible implementation of an exact diagonalization method for studying few-fermion models. Our aim is to provide a testbed for the newcomers to the field as well as a stepping stone for trying out novel optimizations and approximations. This userguide consists of a description of the algorithm, and several examples in varying orders of sophistication. In particular, we exemplify our routine using an effective-interaction approach that fixes the low-energy physics. We benchmark this approach against the existing data, and show that it is able to deliver state-of-the-art numerical results at a significantly reduced computational cost.}, author = {Rammelmüller, Lukas and Huber, David and Volosniev, Artem}, publisher = {SciPost Foundation}, title = {{Codebase release 1.0 for FermiFCI}}, doi = {10.21468/scipostphyscodeb.12-r1.0}, year = {2023}, } @article{13276, abstract = {We introduce a generic and accessible implementation of an exact diagonalization method for studying few-fermion models. Our aim is to provide a testbed for the newcomers to the field as well as a stepping stone for trying out novel optimizations and approximations. This userguide consists of a description of the algorithm, and several examples in varying orders of sophistication. In particular, we exemplify our routine using an effective-interaction approach that fixes the low-energy physics. We benchmark this approach against the existing data, and show that it is able to deliver state-of-the-art numerical results at a significantly reduced computational cost.}, author = {Rammelmüller, Lukas and Huber, David and Volosniev, Artem}, issn = {2949-804X}, journal = {SciPost Physics Codebases}, publisher = {SciPost Foundation}, title = {{A modular implementation of an effective interaction approach for harmonically trapped fermions in 1D}}, doi = {10.21468/scipostphyscodeb.12}, year = {2023}, } @article{13278, abstract = {We present a numerical analysis of spin-1/2 fermions in a one-dimensional harmonic potential in the presence of a magnetic point-like impurity at the center of the trap. The model represents a few-body analogue of a magnetic impurity in the vicinity of an s-wave superconductor. Already for a few particles we find a ground-state level crossing between sectors with different fermion parities. We interpret this crossing as a few-body precursor of a quantum phase transition, which occurs when the impurity "breaks" a Cooper pair. This picture is further corroborated by analyzing density-density correlations in momentum space. Finally, we discuss how the system may be realized with existing cold-atoms platforms.}, author = {Rammelmüller, Lukas and Huber, David and Čufar, Matija and Brand, Joachim and Hammer, Hans-Werner and Volosniev, Artem}, issn = {2542-4653}, journal = {SciPost Physics}, keywords = {General Physics and Astronomy}, number = {1}, publisher = {SciPost Foundation}, title = {{Magnetic impurity in a one-dimensional few-fermion system}}, doi = {10.21468/scipostphys.14.1.006}, volume = {14}, year = {2023}, } @article{14756, abstract = {We prove the r-spin cobordism hypothesis in the setting of (weak) 2-categories for every positive integer r: the 2-groupoid of 2-dimensional fully extended r-spin TQFTs with given target is equivalent to the homotopy fixed points of an induced Spin 2r -action. In particular, such TQFTs are classified by fully dualisable objects together with a trivialisation of the rth power of their Serre automorphisms. For r=1, we recover the oriented case (on which our proof builds), while ordinary spin structures correspond to r=2. To construct examples, we explicitly describe Spin 2r​-homotopy fixed points in the equivariant completion of any symmetric monoidal 2-category. We also show that every object in a 2-category of Landau–Ginzburg models gives rise to fully extended spin TQFTs and that half of these do not factor through the oriented bordism 2-category.}, author = {Carqueville, Nils and Szegedy, Lorant}, issn = {1663-487X}, journal = {Quantum Topology}, keywords = {Geometry and Topology, Mathematical Physics}, number = {3}, pages = {467--532}, publisher = {European Mathematical Society}, title = {{Fully extended r-spin TQFTs}}, doi = {10.4171/qt/193}, volume = {14}, year = {2023}, } @article{12788, abstract = {We show that the simplest of existing molecules—closed-shell diatomics not interacting with one another—host topological charges when driven by periodic far-off-resonant laser pulses. A periodically kicked molecular rotor can be mapped onto a “crystalline” lattice in angular momentum space. This allows us to define quasimomenta and the band structure in the Floquet representation, by analogy with the Bloch waves of solid-state physics. Applying laser pulses spaced by 1/3 of the molecular rotational period creates a lattice with three atoms per unit cell with staggered hopping. Within the synthetic dimension of the laser strength, we discover Dirac cones with topological charges. These Dirac cones, topologically protected by reflection and time-reversal symmetry, are reminiscent of (although not equivalent to) that seen in graphene. They—and the corresponding edge states—are broadly tunable by adjusting the laser strength and can be observed in present-day experiments by measuring molecular alignment and populations of rotational levels. This paves the way to study controllable topological physics in gas-phase experiments with small molecules as well as to classify dynamical molecular states by their topological invariants.}, author = {Karle, Volker and Ghazaryan, Areg and Lemeshko, Mikhail}, issn = {1079-7114}, journal = {Physical Review Letters}, number = {10}, publisher = {American Physical Society}, title = {{Topological charges of periodically kicked molecules}}, doi = {10.1103/PhysRevLett.130.103202}, volume = {130}, year = {2023}, } @article{11590, abstract = {We investigate the ground-state properties of weakly repulsive one-dimensional bosons in the presence of an attractive zero-range impurity potential. First, we derive mean-field solutions to the problem on a finite ring for the two asymptotic cases: (i) all bosons are bound to the impurity and (ii) all bosons are in a scattering state. Moreover, we derive the critical line that separates these regimes in the parameter space. In the thermodynamic limit, this critical line determines the maximum number of bosons that can be bound by the impurity potential, forming an artificial atom. Second, we validate the mean-field results using the flow equation approach and the multi-layer multi-configuration time-dependent Hartree method for atomic mixtures. While beyond-mean-field effects destroy long-range order in the Bose gas, the critical boson number is unaffected. Our findings are important for understanding such artificial atoms in low-density Bose gases with static and mobile impurities.}, author = {Brauneis, Fabian and Backert, Timothy G. and Mistakidis, Simeon I. and Lemeshko, Mikhail and Hammer, Hans Werner and Volosniev, Artem}, issn = {1367-2630}, journal = {New Journal of Physics}, number = {6}, publisher = {IOP Publishing}, title = {{Artificial atoms from cold bosons in one dimension}}, doi = {10.1088/1367-2630/ac78d8}, volume = {24}, year = {2022}, } @article{11592, abstract = {We compare recent experimental results [Science 375, 528 (2022)] of the superfluid unitary Fermi gas near the critical temperature with a thermodynamic model based on the elementary excitations of the system. We find good agreement between experimental data and our theory for several quantities such as first sound, second sound, and superfluid fraction. We also show that mode mixing between first and second sound occurs. Finally, we characterize the response amplitude to a density perturbation: Close to the critical temperature both first and second sound can be excited through a density perturbation, whereas at lower temperatures only the first sound mode exhibits a significant response.}, author = {Bighin, Giacomo and Cappellaro, Alberto and Salasnich, L.}, issn = {2469-9934}, journal = {Physical Review A}, number = {6}, publisher = {American Physical Society}, title = {{Unitary Fermi superfluid near the critical temperature: Thermodynamics and sound modes from elementary excitations}}, doi = {10.1103/PhysRevA.105.063329}, volume = {105}, year = {2022}, } @article{11997, abstract = {We study the fate of an impurity in an ultracold heteronuclear Bose mixture, focusing on the experimentally relevant case of a ⁴¹K - ⁸⁷Rb mixture, with the impurity in a ⁴¹K hyperfine state. Our paper provides a comprehensive description of an impurity in a BEC mixture with contact interactions across its phase diagram. We present results for the miscible and immiscible regimes, as well as for the impurity in a self-bound quantum droplet. Here, varying the interactions, we find exotic states where the impurity localizes either at the center or at the surface of the droplet. }, author = {Bighin, Giacomo and Burchianti, A. and Minardi, F. and Macrì, T.}, issn = {2469-9934}, journal = {Physical Review A}, number = {2}, publisher = {American Physical Society}, title = {{Impurity in a heteronuclear two-component Bose mixture}}, doi = {10.1103/PhysRevA.106.023301}, volume = {106}, year = {2022}, } @article{11998, abstract = {Recently it became possible to study highly excited rotational states of molecules in superfluid helium through nonadiabatic alignment experiments (Cherepanov et al 2021 Phys. Rev. A 104 L061303). This calls for theoretical approaches that go beyond explaining renormalized values of molecular spectroscopic constants, which suffices when only the lowest few rotational states are involved. As the first step in this direction, here we present a basic quantum mechanical model describing highly excited rotational states of molecules in superfluid helium nanodroplets. We show that a linear molecule immersed in a superfluid can be seen as an effective symmetric top, similar to the rotational structure of radicals, such as OH or NO, but with the angular momentum of the superfluid playing the role of the electronic angular momentum in free molecules. The simple theory sheds light onto what happens when the rotational angular momentum of the molecule increases beyond the lowest excited states accessible by infrared spectroscopy. In addition, the model allows to estimate the effective rotational and centrifugal distortion constants for a broad range of species and to explain the crossover between light and heavy molecules in superfluid 4He in terms of the many-body wavefunction structure. Some of the above mentioned insights can be acquired by analyzing a simple 2 × 2 matrix.}, author = {Cherepanov, Igor and Bighin, Giacomo and Schouder, Constant A. and Chatterley, Adam S. and Stapelfeldt, Henrik and Lemeshko, Mikhail}, issn = {1367-2630}, journal = {New Journal of Physics}, number = {7}, publisher = {IOP Publishing}, title = {{A simple model for high rotational excitations of molecules in a superfluid}}, doi = {10.1088/1367-2630/ac8113}, volume = {24}, year = {2022}, } @article{12139, abstract = {We demonstrate the formation of robust zero-energy modes close to magnetic impurities in the iron-based superconductor FeSe1-z Tez. We find that the Zeeman field generated by the impurity favors a spin-triplet interorbital pairing as opposed to the spin-singlet intraorbital pairing prevalent in the bulk. The preferred spin-triplet pairing preserves time-reversal symmetry and is topological, as robust, topologically protected zero modes emerge at the boundary between regions with different pairing states. Moreover, the zero modes form Kramers doublets that are insensitive to the direction of the spin polarization or to the separation between impurities. We argue that our theoretical results are consistent with recent experimental measurements on FeSe1-z Tez.}, author = {Ghazaryan, Areg and Kirmani, Ammar and Fernandes, Rafael M. and Ghaemi, Pouyan}, issn = {2469-9969}, journal = {Physical Review B}, number = {20}, publisher = {American Physical Society}, title = {{Anomalous Shiba states in topological iron-based superconductors}}, doi = {10.1103/physrevb.106.l201107}, volume = {106}, year = {2022}, } @article{12150, abstract = {Methods inspired from machine learning have recently attracted great interest in the computational study of quantum many-particle systems. So far, however, it has proven challenging to deal with microscopic models in which the total number of particles is not conserved. To address this issue, we propose a variant of neural network states, which we term neural coherent states. Taking the Fröhlich impurity model as a case study, we show that neural coherent states can learn the ground state of nonadditive systems very well. In particular, we recover exact diagonalization in all regimes tested and observe substantial improvement over the standard coherent state estimates in the most challenging intermediate-coupling regime. Our approach is generic and does not assume specific details of the system, suggesting wide applications.}, author = {Rzadkowski, Wojciech and Lemeshko, Mikhail and Mentink, Johan H.}, issn = {2469-9969}, journal = {Physical Review B}, number = {15}, publisher = {American Physical Society}, title = {{Artificial neural network states for nonadditive systems}}, doi = {10.1103/physrevb.106.155127}, volume = {106}, year = {2022}, } @article{12154, abstract = {We review our theoretical results of the sound propagation in two-dimensional (2D) systems of ultracold fermionic and bosonic atoms. In the superfluid phase, characterized by the spontaneous symmetry breaking of the U(1) symmetry, there is the coexistence of first and second sound. In the case of weakly-interacting repulsive bosons, we model the recent measurements of the sound velocities of 39K atoms in 2D obtained in the weakly-interacting regime and around the Berezinskii–Kosterlitz–Thouless (BKT) superfluid-to-normal transition temperature. In particular, we perform a quite accurate computation of the superfluid density and show that it is reasonably consistent with the experimental results. For superfluid attractive fermions, we calculate the first and second sound velocities across the whole BCS-BEC crossover. In the low-temperature regime, we reproduce the recent measurements of first-sound speed with 6Li atoms. We also predict that there is mixing between sound modes only in the finite-temperature BEC regime.}, author = {Salasnich, Luca and Cappellaro, Alberto and Furutani, Koichiro and Tononi, Andrea and Bighin, Giacomo}, issn = {2073-8994}, journal = {Symmetry}, keywords = {Physics and Astronomy (miscellaneous), General Mathematics, Chemistry (miscellaneous), Computer Science (miscellaneous)}, number = {10}, publisher = {MDPI}, title = {{First and second sound in two-dimensional bosonic and fermionic superfluids}}, doi = {10.3390/sym14102182}, volume = {14}, year = {2022}, } @article{12213, abstract = {Motivated by properties-controlling potential of the strain, we investigate strain dependence of structure, electronic, and magnetic properties of Sr2IrO4 using complementary theoretical tools: ab-initio calculations, analytical approaches (rigid octahedra picture, Slater-Koster integrals), and extended t−J model. We find that strain affects both Ir-Ir distance and Ir-O-Ir angle, and the rigid octahedra picture is not relevant. Second, we find fundamentally different behavior for compressive and tensile strain. One remarkable feature is the formation of two subsets of bond- and orbital-dependent carriers, a compass-like model, under compression. This originates from the strain-induced renormalization of the Ir-O-Ir superexchange and O on-site energy. We also show that under compressive (tensile) strain, Fermi surface becomes highly dispersive (relatively flat). Already at a tensile strain of 1.5%, we observe spectral weight redistribution, with the low-energy band acquiring almost purely singlet character. These results can be directly compared with future experiments.}, author = {Paerschke, Ekaterina and Chen, Wei-Chih and Ray, Rajyavardhan and Chen, Cheng-Chien}, issn = {2397-4648}, journal = {npj Quantum Materials}, keywords = {Condensed Matter Physics, Electronic, Optical and Magnetic Materials}, publisher = {Springer Nature}, title = {{Evolution of electronic and magnetic properties of Sr₂IrO₄ under strain}}, doi = {10.1038/s41535-022-00496-w}, volume = {7}, year = {2022}, } @article{17070, abstract = {We investigate the formation of magnetic Bose polaron, an impurity atom dressed by spin-wave excitations, in a one-dimensional spinor Bose gas. Within an effective potential model, the impurity is strongly confined by the host excitations which can even overcome the impurity-medium repulsion leading to a self-localized quasi-particle state. The phase diagram of the attractive and self-bound repulsive magnetic polaron, repulsive non-magnetic (Fröhlich-type) polaron and impurity-medium phase-separation regimes is explored with respect to the Rabi-coupling between the spin components, spin–spin interactions and impurity-medium coupling. The residue of such magnetic polarons decreases substantially in both strong attractive and repulsive branches with strong impurity-spin interactions, illustrating significant dressing of the impurity. The impurity can be used to probe and maneuver the spin polarization of the magnetic medium while suppressing ferromagnetic spin–spin correlations. It is shown that mean-field theory fails as the spinor gas approaches immiscibility since the generated spin-wave excitations are prominent. Our findings illustrate that impurities can be utilized to generate controllable spin–spin correlations and magnetic polaron states which can be realized with current cold atom setups.}, author = {Mistakidis, S I and Koutentakis, Georgios and Grusdt, F and Schmelcher, P and Sadeghpour, H R}, issn = {1367-2630}, journal = {New Journal of Physics}, number = {8}, publisher = {IOP Publishing}, title = {{Inducing spin-order with an impurity: phase diagram of the magnetic Bose polaron}}, doi = {10.1088/1367-2630/ac836c}, volume = {24}, year = {2022}, } @article{10771, abstract = {A critical overview of the theory of the chirality-induced spin selectivity (CISS) effect, that is, phenomena in which the chirality of molecular species imparts significant spin selectivity to various electron processes, is provided. Based on discussions in a recently held workshop, and further work published since, the status of CISS effects—in electron transmission, electron transport, and chemical reactions—is reviewed. For each, a detailed discussion of the state-of-the-art in theoretical understanding is provided and remaining challenges and research opportunities are identified.}, author = {Evers, Ferdinand and Aharony, Amnon and Bar-Gill, Nir and Entin-Wohlman, Ora and Hedegård, Per and Hod, Oded and Jelinek, Pavel and Kamieniarz, Grzegorz and Lemeshko, Mikhail and Michaeli, Karen and Mujica, Vladimiro and Naaman, Ron and Paltiel, Yossi and Refaely-Abramson, Sivan and Tal, Oren and Thijssen, Jos and Thoss, Michael and Van Ruitenbeek, Jan M. and Venkataraman, Latha and Waldeck, David H. and Yan, Binghai and Kronik, Leeor}, issn = {1521-4095}, journal = {Advanced Materials}, number = {13}, publisher = {Wiley}, title = {{Theory of chirality induced spin selectivity: Progress and challenges}}, doi = {10.1002/adma.202106629}, volume = {34}, year = {2022}, } @article{10845, abstract = {We study an impurity with a resonance level whose position coincides with the Fermi energy of the surrounding Fermi gas. An impurity causes a rapid variation of the scattering phase shift for fermions at the Fermi surface, introducing a new characteristic length scale into the problem. We investigate manifestations of this length scale in the self-energy of the impurity and in the density of the bath. Our calculations reveal a model-independent deformation of the density of the Fermi gas, which is determined by the width of the resonance. To provide a broader picture, we investigate time evolution of the density in quench dynamics, and study the behavior of the system at finite temperatures. Finally, we briefly discuss implications of our findings for the Fermi-polaron problem.}, author = {Maslov, Mikhail and Lemeshko, Mikhail and Volosniev, Artem}, issn = {2643-1564}, journal = {Physical Review Research}, publisher = {American Physical Society}, title = {{Impurity with a resonance in the vicinity of the Fermi energy}}, doi = {10.1103/PhysRevResearch.4.013160}, volume = {4}, year = {2022}, } @phdthesis{10759, abstract = {In this Thesis, I study composite quantum impurities with variational techniques, both inspired by machine learning as well as fully analytic. I supplement this with exploration of other applications of machine learning, in particular artificial neural networks, in many-body physics. In Chapters 3 and 4, I study quasiparticle systems with variational approach. I derive a Hamiltonian describing the angulon quasiparticle in the presence of a magnetic field. I apply analytic variational treatment to this Hamiltonian. Then, I introduce a variational approach for non-additive systems, based on artificial neural networks. I exemplify this approach on the example of the polaron quasiparticle (Fröhlich Hamiltonian). In Chapter 5, I continue using artificial neural networks, albeit in a different setting. I apply artificial neural networks to detect phases from snapshots of two types physical systems. Namely, I study Monte Carlo snapshots of multilayer classical spin models as well as molecular dynamics maps of colloidal systems. The main type of networks that I use here are convolutional neural networks, known for their applicability to image data.}, author = {Rzadkowski, Wojciech}, issn = {2663-337X}, pages = {120}, publisher = {Institute of Science and Technology Austria}, title = {{Analytic and machine learning approaches to composite quantum impurities}}, doi = {10.15479/at:ista:10759}, year = {2022}, } @article{11552, abstract = {Rotational dynamics of D2 molecules inside helium nanodroplets is induced by a moderately intense femtosecond pump pulse and measured as a function of time by recording the yield of HeD+ ions, created through strong-field dissociative ionization with a delayed femtosecond probe pulse. The yield oscillates with a period of 185 fs, reflecting field-free rotational wave packet dynamics, and the oscillation persists for more than 500 periods. Within the experimental uncertainty, the rotational constant BHe of the in-droplet D2 molecule, determined by Fourier analysis, is the same as Bgas for an isolated D2 molecule. Our observations show that the D2 molecules inside helium nanodroplets essentially rotate as free D2 molecules.}, author = {Qiang, Junjie and Zhou, Lianrong and Lu, Peifen and Lin, Kang and Ma, Yongzhe and Pan, Shengzhe and Lu, Chenxu and Jiang, Wenyu and Sun, Fenghao and Zhang, Wenbin and Li, Hui and Gong, Xiaochun and Averbukh, Ilya Sh and Prior, Yehiam and Schouder, Constant A. and Stapelfeldt, Henrik and Cherepanov, Igor and Lemeshko, Mikhail and Jäger, Wolfgang and Wu, Jian}, issn = {1079-7114}, journal = {Physical Review Letters}, number = {24}, publisher = {American Physical Society}, title = {{Femtosecond rotational dynamics of D2 molecules in superfluid helium nanodroplets}}, doi = {10.1103/PhysRevLett.128.243201}, volume = {128}, year = {2022}, }