Luttinger-liquid behavior of one-dimensional He-3

The ground-state properties of one-dimensional He-3 are studied using quantum Monte Carlo methods. The equation of state is calculated in a wide range of physically relevant densities and is well interpolated by a power-series fit. The Luttinger liquid theory is found to describe the long-range properties of the correlation functions. The density dependence of the Luttinger parameter is explicitly found, and interestingly it shows a nonmonotonic behavior. Depending on the density, the static structure factor can be a smooth function of the momentum or might contain a peak of a finite or infinite height. Although no phase transitions are present in the system, we identify a number of physically different regimes, including an ideal Fermi gas, aPostprint (published version

First-principles modeling of quantum nuclear effects and atomic interactions in solid He-4 at high pressure

We present a first-principles computational study of solid He-4 at T = 0 K and pressures up to similar to 160 GPa. 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 He-4 does not increase appreciably with compression for P >= 85 GPa. Also, we show that the Lindemann ratio in dense solid He-4 amounts to 0.10 almost independently of pressure. The reliability of customary quasiharmonic DFT (QH DFT) approaches in describing 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 He-4. In particular, we disclose huge discrepancies of at least similar to 50% in the calculated He-4 kinetic energies using both the QH DFT and present DFT-DMC methods.Postprint (published version

Path integral Monte Carlo calculation of momentum distribution in solid He-4

We perform calculations of the momentum distribution n(k) in solid 4He by means of path integral Monte Carlo methods.We see that, in perfect crystals, n(k)does not depend on temperature T and that is different from the classical Gaussian shape of the Maxwell-Boltzmann distribution, even though these discrepancies decrease when the density of the system increases. In crystals presenting vacancies, we see that for T ≥ 0.75 K, n(k) presents the same behavior as in the perfect crystal, but, at lower T , it presents a peak when k→0.Peer ReviewedPostprint (author’s final draft

Structure of halo and quasi-halo helium–helium–alkali trimers

We report a diffusion Monte Carlo study of A4He2 and A4He3He trimers’ structural properties, were A is one of the alkali atoms 6,7Li, 23Na, 39K, 85Rb or 133Cs. Some of them are in a pure halo state, characterized by large spatial extent and universality, while some are close to the halo limit. The theoretical analysis of these trimers enables insight on how structural properties of weakly bound systems change when approaching the halo edge. For that purpose, two-variable distributions of inter-particle separations and angles were calculated. Extreme spatial extensions of some trimers with 3He confirm their halo nature. Although all the considered systems are floppy, trimers with all bound dimer subsystems are less spread and have significantly lower percentage of quasi-linear configurations than those which have at least one unbound dimer subsystem.Postprint (author's final draft

Dynamic structure function of a cold Fermi gas at unitarity

We present a theoretical study of the dynamic structure function of a resonantly interacting two-component Fermi gas at zero temperature. Our approach is based on dynamic many-body theory able to describe excitations in strongly correlated Fermi systems. The fixed-node diffusion Monte Carlo method is used to produce the ground-state correlation functions which are used as an input for the excitation theory. Our approach reproduces recent Bragg scattering data in both the density and the spin channel. In the BCS regime, the response is close to that of the ideal Fermi gas. On the BEC side, the Bose peak associated with the formation of dimers dominates the density channel of the dynamic response. When the fraction of dimers is large our theory departs from the experimental data, mainly in the spin channel.Peer ReviewedPostprint (published version

Quasiparticle Nature of the Bose Polaron at Finite Temperature

The Bose polaron has attracted theoretical and experimental interest because the mobile impurity is surrounded by a bath that undergoes a superfluid-to-normal phase transition. Although many theoretical works have studied this system in its ground state, only a few analyze its behavior at finite temperature. We have studied the effect of temperature on a Bose polaron system performing ab initio path integral Monte Carlo simulations. This method is able to approach the critical temperature without losing accuracy, in contrast with perturbative approximations. We have calculated the polaron energy for the repulsive and attractive branches and we have observed an asymmetric behavior between the two branches. When the potential is repulsive, the polaron energy decreases when the temperature increases, and contrariwise for the attractive branch. Our results for the effective mass and the dynamical structure factor of the polaron show unambiguously that its quasiparticle nature disappears close to the critical temperature, in agreement with recent experimental findings. Finally, we have also estimated the fraction of bosons in the condensate as well as the superfluid fraction, and we have concluded that the impurity hinders the condensation of the rest of bosons.Peer ReviewedPostprint (author's final draft

Universality in ultradilute liquid Bose-Bose mixtures

We have studied dilute Bose-Bose mixtures of atoms with attractive interspecies and repulsive intraspecies interactions using quantum Monte Carlo methods at T=0. Using a number of models for interactions, we determine the range of validity of the universal equation of state of the symmetric liquid mixture as a function of two parameters: the s-wave scattering length and the effective range of the interaction potential. It is shown that the Lee-Huang-Yang correction is sufficient only for extremely dilute liquids with the additional restriction that the range of the potential is small enough. Based on the quantum Monte Carlo equation of state we develop a density functional which goes beyond the Lee-Huang-Yang term and use it together with the local density approximation to determine density profiles of realistic self-bound drops.Postprint (published version

Ground-state properties of weakly bound helium-alkali trimers

Weakly bound triatomic molecules consisting of two helium atoms and one alkali metal atom are studied by means of the diffusion Monte Carlo method. We determined the stability of 4He2A, 4He3HeA, and 3He2A, where A is one of the alkali atoms Li, Na, K, Rb, or Cs. Some of the trimers with 3He are predicted to be self-bound for the first time, but this is observed to be dependent on the He–A interaction potential model. In addition to the ground-state energy of the trimers, we determined their density, radial, and angular distributions. Many of them are spatially very extended, which qualifies them as quantum halo statesPostprint (author's final draft

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.Postprint (published version

Luttinger parameter of quasi-one-dimensional para- H2

We have studied the ground-state properties of para-hydrogen in one dimension and in quasi-one-dimensional configurations using the path-integral ground-state Monte Carlo method. This method produces zero-temperature exact results for a given interaction and geometry. The quasi-one-dimensional setup has been implemented in two forms: the inner channel inside a carbon nanotube coated with H2 and a harmonic confinement of variable strength. Our main result is the dependence of the Luttinger parameter on the density within the stable regime. Going from one dimension to quasi-one dimension, keeping the linear density constant, produces a systematic increase of the Luttinger parameter. This increase is, however, not enough to reach the superfluid regime and the system always remain in the quasicrystal regime, according to Luttinger liquid theory.Postprint (author's final draft