arXiv subjects

Jordi Boronat

Publications and source records attributed to Jordi Boronat.

At least 55 records · Page 3Linked to original sources

arXiv2020

Finite-range effects in ultradilute quantum drops

In the first experimental realization of dilute Bose-Bose liquid drops using two hyperfine states of $^{39}$K some discrepancies between theory and experiment were observed. The standard analysis of the data using the Lee-Huang-Yang beyond mean-field theory predicted critical numbers which were significantly off the experimental measurements. Also, the radial size of the drops in the experiment proved to be larger than expected from this theory. Using a new functional, which is based on quantum Monte Carlo results of the bulk phase incorporating finite-range effects, we can explain the origin of the discrepancies in the critical number. This result proves the necessity of including finite-range corrections to deal with the observed properties in this setup. The controversy on the radial size is reasoned in terms of the departure from the optimal concentration ratio between the two species of the mixture.

cond-mat.quant-gas↗

arXiv2019

Berezinskii-Kosterlitz-Thouless Transition in Two-Dimensional Dipolar Stripes

A two-dimensional quantum system of dipoles, with a polarization angle not perpendicular to the plane, shows a transition from a gas to a stripe phase. We have studied the thermal properties of these two phases using the path integral Monte Carlo (PIMC) method. By simulating the thermal density matrix, PIMC provides exact results for magnitudes of interest such as the superfluid fraction and the one-body density matrix. As it is well known, in two dimensions the superfluid-to-normal phase transition follows the Berezinskii-Kosterlitz-Thouless (BKT) scenario. Our results show that both the anisotropic gas and the stripe phases follow the BKT scaling laws. At fixed density and increasing the tilting angle, the transition temperature decreases in going from the gas to the stripe phase. Superfluidity in the perpendicular direction to the stripes is rather small close to the critical temperature but it becomes larger at lower temperatures, mainly close to the transition to the gas. Our results are in qualitative agreement with the supersolidity observed recently in a quasi-one-dimensional array of dipolar droplets.

cond-mat.quant-gas↗

arXiv2019

Dilute dipolar quantum droplets beyond the extended Gross-Pitaevskii equation

Dipolar quantum droplets are exotic quantum objects that are self-bound due to the subtle balance of attraction, repulsion and quantum correlations. Here we present a systematic study of the critical atom number of these self-bound droplets, comparing the experimental results with extended mean-field Gross-Pitaevskii equation (eGPE) and quantum Monte-Carlo simulations of the dilute system. The respective theoretical predictions differ, questioning the validity of the current theoretical state-of-the-art description of quantum droplets within the eGPE framework and indicating that correlations in the system are significant. Furthermore, we show that our system can serve as a sensitive testing ground for many-body theories in the near future.

cond-mat.quant-gas↗

arXiv2019

Two-dimensional repulsive Fermi polarons with short and long-range interactions

We study the repulsive polaron problem in a two-component two-dimensional system of fermionic atoms. We use two different interaction models: a short-range (hard-disk) potential and a dipolar potential. In our approach, all the atoms have the same mass and we consider the system to be composed of a uniform bath of a single species and a single atomic impurity. We use the diffusion Monte Carlo method to evaluate polaron properties such as its chemical potential and pair distribution functions, together with a discussion on the deficit of volume induced by the impurity. We also evaluate observables that allow us to determine the validity of the quasi-particle picture: the quasi-particle residue and the effective mass of the polaron. Employing two different potentials allows us to identify the universality regime, where the properties depend only on the gas parameter $n a_s^2$ fixed by the bath density and the two-dimensional scattering length.

cond-mat.quant-gas↗

arXiv2019

Layering transitions in superfluid helium adsorbed on a carbon nanotube mechanical resonator

Helium is recognized as a model system for the study of phase transitions. Of particular interest is the superfluid phase in two dimensions. We report measurements on superfluid helium films adsorbed on the surface of a suspended carbon nanotube. We measure the mechanical vibrations of the nanotube to probe the adsorbed helium film. We demonstrate the formation of helium layers up to five atoms thickness. Upon increasing the vapour pressure, we observe layer-by-layer growth with discontinuities in both the number of adsorbed atoms and the speed of sound in the adsorbed film. These hitherto unobserved discontinuities point to a series of first-order layering transitions. Our results show that helium multilayers adsorbed on a nanotube are of unprecedented quality compared to previous works. They pave the way to new studies of quantized superfluid vortex dynamics on cylindrical surfaces, of the Berezinskii-Kosterlitz-Thouless phase transition in this new geometry, perhaps also to supersolidity in crystalline single layers as predicted in quantum Monte Carlo calculations.

cond-mat.mes-hall↗

arXiv2019

Two-dimensional Mixture of Dipolar Fermions: Equation of State and Magnetic Phases

We study a two-component mixture of fermionic dipoles in two dimensions at zero temperature, interacting via a purely repulsive $1/r^3$ potential. This model can be realized with ultracold atoms or molecules, when their dipole moments are aligned in the confinement direction orthogonal to the plane. We characterize the unpolarized mixture by means of the Diffusion Monte Carlo technique. Computing the equation of state, we identify the regime of validity for a mean-field theory based on a low-density expansion and compare our results with the hard-disk model of repulsive fermions. At high density, we address the possibility of itinerant ferromagnetism, namely whether the ground state can be fully polarized in the fluid phase. Within the fixed-node approximation, we show that the accuracy of Jastrow-Slater trial wave functions, even with the typical two-body backflow correction, is not sufficient to resolve the relevant energy differences. By making use of the iterative-backflow improved trial wave functions, we observe no signature of a fully-polarized ground state up to the freezing density.

cond-mat.quant-gas↗

arXiv2018

Temperature Dependence of the Vacancy Formation Energy in Solid $^4$He

We studied the thermal effects on the behavior of incommensurate solid $^4$He at low temperatures using the path integral Monte Carlo method. Below a certain temperature, depending on the density and the structure of the crystal, the vacancies delocalize and a finite condensate fraction appears. We calculated the vacancy formation energy as a function of the temperature and observed a behavior compatible with a two-step structure, with a gap of few K appearing at the onset temperature of off-diagonal long-range order. Estimation of the energy cost of creating two vacancies seems to indicate an effective attractive interaction among the vacancies but the large error inherent to its numerical estimation precludes a definitive statement.

cond-mat.other↗

arXiv2017

Optical lattices as a tool to study defect-induced superfluidity

We study the superfluid response, the energetic and structural properties of a one-dimensional ultracold Bose gas in an optical lattice of arbitrary strength. We use the Bose-Fermi mapping in the limit of infinitely large repulsive interaction and the diffusion Monte Carlo method in the case of finite interaction. For slightly incommensurate fillings we find a superfluid behavior which is discussed in terms of vacancies and interstitials. It is shown that both the excitation spectrum and static structure factor are different for the cases of microscopic and macroscopic fractions of defects. This system provides a extremely well-controlled model for studying defect-induced superfluidity.

cond-mat.quant-gas↗

arXiv2016

Simulation and understanding of quantum crystals

Quantum crystals abound in the whole range of solid-state species. Below a certain threshold temperature the physical behavior of rare gases (4He and Ne), molecular solids (H2 and CH4), and some ionic (LiH), covalent (graphite), and metallic (Li) crystals can be only explained in terms of quantum nuclear effects (QNE). A detailed comprehension of the nature of quantum solids is critical for achieving progress in a number of fundamental and applied scientific fields like, for instance, planetary sciences, hydrogen storage, nuclear energy, quantum computing, and nanoelectronics. This review describes the current physical understanding of quantum crystals and the wide variety of simulation techniques that are used to investigate them. Relevant aspects in these materials such as phase transformations, energy and structural properties, elasticity, and the effects of crystalline defects and dimensionality, are discussed thoroughly. An introduction to quantum Monte Carlo techniques, which in the present context are the simulation methods of choice, and other quantum simulation approaches (e. g., path-integral molecular dynamics and quantum thermal baths) is provided. The overarching objective of this article is twofold. First, to clarify in which crystals and physical situations the disregard of QNE may incur in important bias and erroneous interpretations. And second, to promote the study and appreciation of QNE, a topic that traditionally has been treated in the context of condensed matter physics, within the broad and interdisciplinary areas of materials science.

cond-mat.mtrl-sci↗

arXiv2016

Elusive structure of helium trimers

Over the years many He-He interaction potentials have been developed, some very sophisticated, including various corrections beyond Born-Oppenheimer approximation. Most of them were used to predict properties of helium dimers and trimers, examples of exotic quantum states, whose experimental study proved to be very challenging. Recently, detailed structural properties of helium trimers were measured for the first time, allowing a comparison with theoretical predictions and possibly enabling the evaluation of different interaction potentials. The comparisons already made included adjusting the maxima of both theoretical and experimental correlation functions to one, so the overall agreement between theory and experiment appeared satisfactory. However, no attempt was made to evaluate the quality of the interaction potentials used in the calculations. In this work, we calculate the experimentally measured correlation functions using both new and old potentials, compare them with experimental data and rank the potentials. We use diffusion Monte Carlo simulations at $T=0\ \mathrm{K}$, which give within statistical noise exact results of the ground state properties. All models predict both trimers $^4\mathrm{He}_{3}$ and $^4\mathrm{He}_2{}^3\mathrm{He}$ to be in a quantum halo state.

physics.atm-clus↗

arXiv2015

First-principles modeling of three-body interactions in highly compressed solid helium

We present a new set of three-body interaction models based on the Bruch-McGee (BM) potential that are suitable for the study of the energy, structural and elastic properties of solid 4He at high pressure. Our ab initio three-body potentials are obtained from the fit to total energies and atomic forces computed with the van der Waals density functional theory method due to Grimme, and represent an improvement with respect to previously reported three-body interaction models. In particular, we show that some of the introduced BM parametrizations reproduce closely the experimental equation of state and bulk modulus of solid helium up to a pressure of ~ 60 GPa, when used in combination with standard pairwise interaction models in diffusion Monte Carlo simulations. Importantly, we find that recent predictions reporting a surprisingly small variation of the kinetic energy and Lindeman ratio on quantum crystals under increasing pressure are likely to be artifacts produced by the use of incomplete interaction models. Also, we show that the experimental variation of the shear modulus, C44, at P < 25 GPa can be quantitatively described with the new set of three-body BM potentials. At higher pressures, however, the agreement between our C44 results and experiments deteriorates and thus we argue that higher order many-body terms in the expansion of the atomic interactions probably are necessary in order to better describe elasticity in very dense solid 4He.

cond-mat.mtrl-sci↗

arXiv2015

Quantum Monte Carlo estimation of complex-time correlations for the study of the ground-state dynamic structure function

We present a method based on the Path Integral Monte Carlo formalism for the calculation of ground-state time correlation functions in quantum systems. The key point of the method is the consideration of time as a complex variable whose phase $δ$ acts as an adjustable parameter. By using high-order approximations for the quantum propagator, it is possible to obtain Monte Carlo data all the way from purely imaginary time to $δ$ values near the limit of real time. As a consequence, it is possible to infer accurately the spectral functions using simple inversion algorithms. We test this approach in the calculation of the dynamic structure function $S(q,ω)$ of two one-dimensional model systems, harmonic and quartic oscillators, for which $S(q,ω)$ can be exactly calculated. We notice a clear improvement in the calculation of the dynamic response with respect to the common approach based on the inverse Laplace transform of the imaginary-time correlation function.

cond-mat.stat-mech↗

arXiv2014

First-Principles Modeling of Quantum Nuclear Effects and Atomic Interactions in Solid 4He at High Pressure

We present a first-principles computational study of solid 4He at T=0K and pressures up to 160GPa. Our computational strategy consists in using van der Waals density functional theory (DFT-vdW) to describe the electronic degrees of freedom in this material, and the diffusion Monte Carlo (DMC) method to solve the Schrodinger equation describing the behavior of the quantum nuclei. For this, we construct an analytical interaction function based on the pairwise Aziz potential that closely matches the volume variation of the cohesive energy calculated with DFT-vdW in dense helium. Interestingly, we find that the kinetic energy of solid 4He does not increase appreciably with compression for P > 85GPa. Also, we show that the Lindemann ratio in dense solid 4He amounts to 0.10 almost independently of pressure. The reliability of customary quasi-harmonic DFT (QH DFT) approaches in the description of quantum nuclear effects in solids is also studied. We find that QH DFT simulations, although provide a reasonable equation of state in agreement with experiments, are not able to reproduce correctly these critical effects in compressed 4He. In particular, we disclose huge discrepancies of at least ~50% in the calculated 4He kinetic energies using both the QH DFT and present DFT-DMC methods.

cond-mat.mtrl-sci↗

arXiv2014

The Limit of Mechanical Stability in Quantum Crystals: A Diffusion Monte Carlo Study of Solid 4He

We present a first-principles study of the energy and elastic properties of solid helium at pressures below the range in which is energetically stable. We find that the limit of mechanical stability in hcp 4He is $P_{s}$ = -33.82 bar, which lies significantly below the spinodal pressure found in the liquid phase (i.e., -9.6 bar). Furthermore, we show that the pressure variation of the transverse and longitudinal sound velocities close to $P_{s}$ do not follow a power law of the form $\propto \left( P - P_{s} \right)^γ$, in contrast to what is observed on the fluid.

cond-mat.other↗

arXiv2014

Atomic monolayer deposition on the surface of nanotube mechanical resonators

We studied monolayers of noble gas atoms (Xe, Kr, Ar, and Ne) deposited on individual ultra- clean suspended nanotubes. For this, we recorded the resonance frequency of the mechanical motion of the nanotube, since it provides a direct measure of the coverage. The latter is the number of adsorbed atoms divided by the number of the carbon atoms of the suspended nanotube. Monolayers formed when the temperature was lowered in a constant pressure of noble gas atoms. The coverage of Xe monolayers remained constant at 1/6 over a large temperature range. This finding reveals that Xe monolayers are solid phases with a triangular atomic arrangement, and are commensurate with the underlying carbon nanotube. By comparing our measurements to theoretical calculations, we identify the phases of Ar and Ne monolayers as fluids, and we tentatively describe Kr monolayers as solid phases. These results underscore that mechanical resonators made from single nanotubes are excellent probes for surface science.

cond-mat.mes-hall↗

arXiv2013

Possible superfluidity of molecular hydrogen in a two-dimensional crystal phase of sodium

We theoretically investigate the ground-state properties of a molecular para-hydrogen (p-H2) film in which crystallization is energetically frustrated by embedding sodium (Na) atoms periodically distributed in a triangular lattice. In order to fully deal with the quantum nature of p-H2 molecules, we employ the diffusion Monte Carlo method and realistic semi-empirical pairwise potentials describing the interactions between H2-H2 and Na-H2 species. In particular, we calculate the energetic, structural and superfluid properties of two-dimensional Na-H2 systems within a narrow density interval around equilibrium at zero temperature. In contrast to previous computational studies considering other alkali metal species such as rubidium and potassium, we find that the p-H2 ground-state is a liquid with a significantly large superfluid fraction of ~30%. The appearance of p-H2 superfluid response is due to the fact that the interactions between Na atoms and H2 molecules are less attractive than between H2 molecules. This induces a considerable reduction of the hydrogen density which favours the stabilization of the liquid phase.

cond-mat.mtrl-sci↗

arXiv2013

Elastic Constants of Incommensurate Solid 4He

We study the elastic properties of incommensurate solid 4He in the limit of zero temperature. Specifically, we calculate the pressure dependence of the five elastic constants (C11, C12, C13, C33, and C44), longitudinal and transversal speeds of sound, and the T = 0 Debye temperature of incommensurate and commensurate hcp 4He using the diffusion Monte Carlo method. Our results show that under compression the commensurate crystal is globally stiffer than the incommensurate, however at pressures close to melting (i.e. P ~ 25 bars) some of the elastic constants accounting for strain deformations of the hcp basal plane (C12 and C13) are slightly larger in the incommensurate solid. Also, we find that upon the introduction of tiny concentrations of point defects the shear modulus of 4He (C44) undergoes a small reduction.

cond-mat.other↗

arXiv2012

Excitations and Stripe Phase Formation in a 2D Dipolar Bose Gas with Tilted Polarization

We present calculations of the ground state and excitations of an anisotropic dipolar Bose gas in two dimensions, realized by a non-perpendicular polarization with respect to the system plane. For sufficiently high density an increase of the polarization angle leads to a density instability of the gas phase in the direction where the anisotropic interaction is strongest. Using a dynamic many-body theory, we calculate the dynamic structure function in the gas phase which shows the anisotropic dispersion of the excitations. We find that the energy of roton excitations in the strongly interacting direction decreases with increasing polarization angle and almost vanishes close to the instability. Exact path integral ground state Monte Carlo simulations show that this instability is indeed a quantum phase transition to a stripe phase, characterized by long-range order in the strongly interacting direction.

cond-mat.quant-gas↗