arXiv subjects

L. Reatto

Publications and source records attributed to L. Reatto.

At least 19 recordsLinked to original sources

arXiv2016

Roton excitations and the fluid-solid phase transition in superfluid 2D Yukawa Bosons

We compute several ground state properties and the dynamical structure factor of a 0-temperature system of Bosons interacting with the 2D screened Coulomb (2D-SC) potential. We resort to the exact shadow path integral ground state (SPIGS) quantum Monte Carlo method to compute the imaginary-time correlation function of the model, and to the genetic algorithm via falsification of theories (GIFT) to retrieve the dynamical structure factor. We provide a detailed comparison of ground state properties and collective excitations of 2D-SC and 4He atoms. The roton energy of the 2D-SC system is an increasing function of density, and not a decreasing one as in 4He. This result is in contrast with the view that the roton is the soft mode of the fluid-solid transition. We uncover a remarkable quasi-universality of backflow and of other properties when expressed in terms of the amount of short range order as quantified by the height of the first peak of the static structure factor.

cond-mat.other↗

arXiv2013

Excitation spectrum in two-dimensional superfluid 4He

In this work we perform an ab-initio study of an ideal two-dimensional sample of 4He atoms, a model for 4He films adsorbed on several kinds of substrates. Starting from a realistic hamiltonian we face the microscopic study of the excitation phonon-roton spectrum of the system at zero temperature. Our approach relies on Path Integral Ground State Monte Carlo projection methods, allowing to evaluate exactly the dynamical density correlation functions in imaginary time, and this gives access to the dynamical structure factor of the system S(q,omega), containing information about the excitation spectrum E(q), resulting in sharp peaks in S(q,omega). The actual evaluation of S(q,omega) requires the inversion of the Laplace transform in ill-posed conditions, which we face via the Genetic Inversion via Falsification of Theories technique. We explore the full density range from the region of spinodal decomposition to the freezing density, i.e. 0.0321 A^-2 - 0.0658 A^-2. In particular we follow the density dependence of the excitation spectrum, focusing on the low wave--vector behavior of E(q), the roton dispersion, the strength of single quasi--particle peak, Z(q), and the static density response function, chi(q). As the density increases, the dispersion E(q) at low wave--vector changes from a super-linear (anomalous dispersion) trend to a sub-linear (normal dispersion) one, anticipating the crystallization of the system; at the same time the maxon-roton structure, which is barely visible at low density, becomes well developed at high densities and the roton wave vector has a strong density dependence. Connection is made with recent inelastic neutron scattering results from highly ordered silica nanopores partially filled with 4He.

cond-mat.other↗

arXiv2012

Novel substrates for Helium adsorption: Graphane and Graphene-Fluoride

The discovery of fullerenes has stimulated extensive exploration of the resulting behavior of adsorbed films. Our study addresses the planar substrates graphene-fluoride (GF) and graphane (GH) in comparison to graphene. We present initial results concerning the potential energy, energy bands and low density behavior of 4He and 3He films on such different surfaces. For example, while graphene presents an adsorption potential that is qualitatively similar to that on graphite, GF and GH yield potentials with different symmetry, a number of adsorption sites double that on graphene/graphite and a larger corrugation for the adatom. In the case of GF, the lowest energy band width is similar to that on graphite but the He atom has a significantly larger effective mass and the adsorption energy is about three time that on graphite. Implications concerning the monolayer phase diagram of 4He are explored with the exact path integral ground state method. A commensurate ordered state similar to the sqrt{3} x sqrt{3} R30^o state on graphite is found the be unstable both on GF and on GH. The ground states of submonolayer 4He on both GF and GH are superfluids with a Bose Einstein condensate fraction of about 10%.

cond-mat.mes-hall↗

arXiv2012

Study of solid 4He in two dimensions. The issue of zero-point defects and study of confined crystal

Defects are believed to play a fundamental role in the supersolid state of 4He. We report on studies by exact Quantum Monte Carlo (QMC) simulations at zero temperature of the properties of solid 4He in presence of many vacancies, up to 30 in two dimensions (2D). In all studied cases the crystalline order is stable at least as long as the concentration of vacancies is below 2.5%. In the 2D system for a small number, n_v, of vacancies such defects can be identified in the crystalline lattice and are strongly correlated with an attractive interaction. On the contrary when n_v~10 vacancies in the relaxed system disappear and in their place one finds dislocations and a revival of the Bose-Einstein condensation. Thus, should zero-point motion defects be present in solid 4He, such defects would be dislocations and not vacancies, at least in 2D. In order to avoid using periodic boundary conditions we have studied the exact ground state of solid 4He confined in a circular region by an external potential. We find that defects tend to be localized in an interfacial region of width of about 15 A. Our computation allows to put as upper bound limit to zero--point defects the concentration 0.003 in the 2D system close to melting density.

cond-mat.stat-mech↗

arXiv2011

Quantized vortices in two dimensional solid 4He

Diagonal and off-diagonal properties of 2D solid 4He systems doped with a quantized vortex have been investigated via the Shadow Path Integral Ground State method using the fixed-phase approach. The chosen approximate phase induces the standard Onsager-Feynman flow field. In this approximation the vortex acts as a static external potential and the resulting Hamiltonian can be treated exactly with Quantum Monte Carlo methods. The vortex core is found to sit in an interstitial site and a very weak relaxation of the lattice positions away from the vortex core position has been observed. Also other properties like Bragg peaks in the static structure factor or the behavior of vacancies are very little affected by the presence of the vortex. We have computed also the one-body density matrix in perfect and defected 4He crystals finding that the vortex has no sensible effect on the off-diagonal long range tail of the density matrix. Within the assumed Onsager Feynman phase, we find that a quantized vortex cannot auto-sustain itself unless a condensate is already present like when dislocations are present. It remains to be investigated if backflow can change this conclusion.

cond-mat.other↗

arXiv2010

Ab-initio low-energy dynamics of superfluid and solid 4He

We have extracted information about real time dynamics of 4He systems from noisy imaginary time correlation functions f(tau) computed via Quantum Monte Carlo (QMC): production and falsification of model spectral functions s(omega) are obtained via a survival-to-compatibility with f(tau) evolutionary process, based on Genetic Algorithms. Statistical uncertainty in f(tau) is promoted to be an asset via a sampling of equivalent f(tau) within the noise, which give rise to independent evolutionary processes. In the case of pure superfluid 4He we have recovered from exact QMC simulations sharp quasi-particle excitations with spectral functions displaying also the multiphonon branch. As further applications, we have studied the impuriton branch of one 3He atom in liquid 4He and the vacancy-wave excitations in hcp solid 4He finding a novel roton like feature.

cond-mat.other↗

arXiv2010

Quantum dislocations: the fate of multiple vacancies in two dimensional solid 4He

Defects are believed to play a fundamental role in the supersolid state of 4He. We have studied solid 4He in two dimensions (2D) as function of the number of vacancies n_v, up to 30, inserted in the initial configuration at rho = 0.0765 A^-2, close to the melting density, with the exact zero temperature Shadow Path Integral Ground State method. The crystalline order is found to be stable also in presence of many vacancies and we observe two completely different regimes. For small n_v, up to about 6, vacancies form a bound state and cause a decrease of the crystalline order. At larger n_v, the formation energy of an extra vacancy at fixed density decreases by one order of magnitude to about 0.6 K. In the equilibrated state it is no more possible to recognize vacancies because they mainly transform into quantum dislocations and crystalline order is found almost independent on how many vacancies have been inserted in the initial configuration. The one--body density matrix in this latter regime shows a non decaying large distance tail: dislocations, that in 2D are point defects, turn out to be mobile, their number is fluctuating, and they are able to induce exchanges of particles across the system mainly triggered by the dislocation cores. These results indicate that the notion of incommensurate versus commensurate state loses meaning for solid 4He in 2D, because the number of lattice sites becomes ill defined when the system is not commensurate. Crystalline order is found to be stable also in 3D in presence of up to 100 vacancies.

cond-mat.other↗

arXiv2009

Exact ground state Monte Carlo method for Bosons without importance sampling

Generally ``exact'' Quantum Monte Carlo computations for the ground state of many Bosons make use of importance sampling. The importance sampling is based, either on a guiding function or on an initial variational wave function. Here we investigate the need of importance sampling in the case of Path Integral Ground State (PIGS) Monte Carlo. PIGS is based on a discrete imaginary time evolution of an initial wave function with a non zero overlap with the ground state, that gives rise to a discrete path which is sampled via a Metropolis like algorithm. In principle the exact ground state is reached in the limit of an infinite imaginary time evolution, but actual computations are based on finite time evolutions and the question is whether such computations give unbiased exact results. We have studied bulk liquid and solid 4He with PIGS by considering as initial wave function a constant, i.e. the ground state of an ideal Bose gas. This implies that the evolution toward the ground state is driven only by the imaginary time propagator, i.e. there is no importance sampling. For both the phases we obtain results converging to those obtained by considering the best available variational wave function (the Shadow wave function) as initial wave function. Moreover we obtain the same results even by considering wave functions with the wrong correlations, for instance a wave function of a strongly localized Einstein crystal for the liquid phase. This convergence is true not only for diagonal properties such as the energy, the radial distribution function and the static structure factor, but also for off-diagonal ones, such as the one--body density matrix. From this analysis we conclude that zero temperature PIGS calculations can be as unbiased as those of finite temperature Path Integral Monte Carlo.

cond-mat.other↗

arXiv2008

Solid 4He and the Supersolid Phase: from Theoretical Speculation to the Discovery of a New State of Matter? A Review of the Past and Present Status of Research

The possibility of a supersolid state of matter, i.e., a crystalline solid exhibiting superfluid properties, first appeared in theoretical studies about forty years ago. After a long period of little interest due to the lack of experimental evidence, it has attracted strong experimental and theoretical attention in the last few years since Kim and Chan (Penn State, USA) reported evidence for nonclassical rotational inertia effects, a typical signature of superfluidity, in samples of solid 4He. Since this "first observation", other experimental groups have observed such effects in the response to the rotation of samples of crystalline helium, and it has become clear that the response of the solid is extremely sensitive to growth conditions, annealing processes, and 3He impurities. A peak in the specific heat in the same range of temperatures has been reported as well as anomalies in the elastic behaviour of solid 4He with a strong resemblance to the phenomena revealed by torsional oscillator experiments. Very recently, the observation of unusual mass transport in hcp solid 4He has also been reported, suggesting superflow. From the theoretical point of view, powerful simulation methods have been used to study solid 4He, but the interpretation of the data is still rather difficult; dealing with the question of supersolidity means that one has to face not only the problem of the coexistence of quantum coherence phenomena and crystalline order, exploring the realm of spontaneous symmetry breaking and quantum field theory, but also the problem of the role of disorder, i.e., how defects, such as vacancies, impurities, dislocations, and grain boundaries, participate in the phase transition mechanism.

cond-mat.stat-mech↗

arXiv2008

Theory for the phase behaviour of a colloidal fluid with competing interactions

We study the phase behaviour of a fluid composed of particles which interact via a pair potential that is repulsive for large inter-particle distances, is attractive at intermediate distances and is strongly repulsive at short distances (the particles have a hard core). As well as exhibiting gas-liquid phase separation, this system also exhibits phase transitions from the uniform fluid phases to modulated inhomogeneous fluid phases. Starting from a microscopic density functional theory, we develop an order parameter theory for the phase transition in order to examine in detail the phase behaviour. The amplitude of the density modulations is the order parameter in our theory. The theory predicts that the phase transition from the uniform to the modulated fluid phase can be either first order or second order (continuous). The phase diagram exhibits two tricritical points, joined to one another by the line of second order transitions.

cond-mat.soft↗

arXiv2008

Zero-point vacancies in quantum solids

A Jastrow wave function (JWF) and a shadow wave function (SWF) describe a quantum solid with Bose--Einstein condensate; i.e. a supersolid. It is known that both JWF and SWF describe a quantum solid with also a finite equilibrium concentration of vacancies x_v. We outline a route for estimating x_v by exploiting the existing formal equivalence between the absolute square of the ground state wave function and the Boltzmann weight of a classical solid. We compute x_v for the quantum solids described by JWF and SWF employing very accurate numerical techniques. For JWF we find a very small value for the zero point vacancy concentration, x_v=(1.4\pm0.1) x 10^-6. For SWF, which presently gives the best variational description of solid 4He, we find the significantly larger value x_v=(1.4\pm0.1) x 10^-3 at a density close to melting. We also study two and three vacancies. We find that there is a strong short range attraction but the vacancies do not form a bound state.

cond-mat.other↗

arXiv2008

Zero-temperature study of vacancies in solid 4He

We are investigating the properties of vacancies in solid 4He with the exact zero temperature SPIGS method. Our aim is to study the possibility of phase--separation between vacancies and the perfect crystal. We find a significant correlation among vacancies both in two and in three dimensional solid 4He. In 3D we have considered up to 5 vacancies in a hcp crystal at a density rho = 0.0293 AA^-3, close to the melting, and in 2D we have considered up to 6 vacancies in a triangular crystal at rho = 0.0765 AA^-2. In all the considered cases the correlation among vacancies seems to display an exponential decay that would suggest the presence of a bound state. The systematically sublinear dependence on the number of vacancies found for the activation energy strengthens the indication of an attractive interaction, even if we have direct evidence that vacancies do not form a single compact cluster.

cond-mat.other↗

arXiv2008

Nonuniversal routes to universality: Critical phenomena in colloidal dispersions

We investigate critical phenomena in colloids by means of the renormalization-group based hierarchical reference theory of fluids (HRT). We focus on three experimentally relevant model systems: namely, the Asakura-Oosawa model of a colloidal dispersion under the influence of polymer-induced attractive depletion forces; fluids with competing short-range attractive and longer-range repulsive interactions; solutions of star-polymers whose pair potential presents both an attractive well and an ultrasoft repulsion at shorter distance. Our results show that the ability to tune the effective interactions between colloidal particles allows one to generate a variety of crossovers to the asymptotic critical behavior, which are not observed in atomic fluids.

cond-mat.soft↗

arXiv2008

Rheology of colloidal microphases in a model with competing interactions

We study the rheological properties of colloidal microphases in two dimensions simulating a model of colloidal particles with competing interactions. Due to the competition between short-range attraction and long-range repulsion, as a function of the density the model exhibits a variety of microphases such as clusters, stripes or crystals with bubbles. We prepare the system in a confined microphase employing Monte-Carlo simulations and then quench the system at T=0. The resulting configurations are then sheared by applying a drag force profile. We integrate numerically the equation of motion for the particles and analyze the dynamics as a function of the density and the applied strain rate. We measure the stress-strain curves and characterize the yielding of the colloidal microphases. The results depend on the type of microphase: (i) clusters are easily sheared along layers and the relative motion is assisted by rotations. (ii) Stripes shear easily when they are parallel to the flow and tend to jam when are perpendicular to it. Under a sufficiently strong shear rate perpendicular stripes orient in the flow direction. (iii) Crystals with bubbles yield by fracturing along the bubbles and eventually forming stripes. We discuss the role of dislocations, emitted by the bubbles, in the yielding process.

cond-mat.soft↗

arXiv2008

Path Integral Ground State study of 2D solid 4He

We have studied a two-dimensional triangular commensurate crystal of 4He with the exact T=0 K Path Integral Ground State (PIGS) Monte Carlo method. We have projected onto the true ground state both a Jastrow-Nosanow wave function, in which equilibrium positions are explicitly given and no Bose-Einstein (BEC) is present, and a translationally invariant shadow wave function, in which the solid phase emerges through a spontaneously broken symmetry process and it has BEC. We find a remarkable convergence to the same properties, both the diagonal ones as well as the off-diagonal one-body density matrix rho_1. This supplies a strong evidence that no variational bias are present in the PIGS method. We find no BEC in the commensurate 2D 4He crystal at T=0 K, rho_1 shows an exponential decay in the large distance range. The structure found in rho_1 is due to virtual vacancy--interstitial pairs and this shows up in the momentum distribution.

cond-mat.other↗

arXiv2007

Microphase morphology in two dimensional fluids under lateral confinement

We study the effects of confinement between two parallel walls on a two dimensional fluid with competing interactions which lead to the formation of particle micro-domains at the thermodynamic equilibrium (microphases or microseparation). The possibility to induce structural changes of the morphology of the micro-domains is explored, under different confinement conditions and temperatures. In presence of neutral walls, a switch from stripes of particles to circular clusters (droplets) occurs as the temperature decreases, which does not happen in bulk. While the passage from droplets to stripes, as the density increases, is a well known phenomenon, the change of the stripes into droplets as an effect of temperature is rather unexpected. Depending on the wall separation and on the wall-fluid interaction parameters, the stripes can switch from parallel to perpendicular to the walls and also a mixed morphology can be stable.

cond-mat.soft↗

arXiv2007

Bounds for the Superfluid Fraction from Exact Quantum Monte Carlo Local Densities

For solid 4He and solid p-H2, using the flow-energy-minimizing one-body phase function and exact T=0 K Monte Carlo calculations of the local density, we have calculated the phase function, the velocity profile and upper bounds for the superfluid fraction f_s. At the melting pressure for solid 4He we find that f_s < 0.20-0.21, about ten times what is observed. This strongly indicates that the theory for the calculation of these upper bounds needs substantial improvements.

cond-mat.other↗

arXiv2007

Microscopic studies of solid 4He with Path Integral Projector Monte Carlo

We have investigated the ground state properties of solid $^4$He with the Shadow Path Integral Ground State method. This exact T=0 K projector method allows to describes quantum solids without introducing any a priori equilibrium position. We have found that the efficiency in computing off-diagonal properties in the solid phase sensibly improves when the direct sampling of permutations, in principle not required, is introduced. We have computed the exact one-body density matrix (obdm) in large commensurate 4He crystal finding a decreasing condensate fraction with increasing imaginary time of projection, making our result not conclusive on the presence of Bose-Einstein condensation in bulk solid 4He. We can only give an upper bound of 2.5 times 10^-8 on the condensate fraction. We have exploited the SPIGS method to study also 4He crystal containing grain boundaries by computing the related surface energy and the obdm along these defects. We have found that also highly symmetrical grain boundaries have a finite condensate fraction. We have also derived a route for the estimation of the true equilibrium concentration of vacancies x_v in bulk T=0 K solid 4He, which is shown to be finite, x_v=0.0014(1) at the melting density, when computed with the variational shadow wave function technique.

cond-mat.other↗