Low Density Regime Research Articles

Nuclear and neutron matters at low density

In this study, symmetric and asymmetric nuclear matter, as well as pure neutron matter in the low-density regime, where the density ranges 0.01 fm−3ρ 0.13 fm−3, have been investigated. Two different realistic and accurate two-body forces are considered. These include Argonne V18 and the CD-Bonn, which give quite different equations of state. The binding energy per nucleon as a function of the density is calculated using the Brueckner-Hartree-Fock approximation. Both the conventional (gap) and continuous choice of single-particle energies are utilized. For the sake of comparison, the equation of state within the self-consistent Green’s function approach is calculated using the CD-Bonn potential. The contribution of the hole-hole terms leads to a repulsive contribution to the energy per nucleon which increases with the nuclear density. Significantly, very good agreement between the experimental symmetry energy values and those calculated in the self-consistent Green’s function and BHF approaches especially at low density, has been accomplished. Finally, The results are compared with those from various many-body approaches, such as variational and relativistic mean field approaches.

Low-density silicon allotropes for photovoltaic applications

Silicon materials play a key role in many technologically relevant fields, ranging from the electronic to the photovoltaic industry. A systematic search for silicon allotropes was performed by employing a modified ab initio minima hopping crystal structure prediction method. The algorithm was optimized to specifically investigate the hitherto barely explored low-density regime of the silicon phase diagram by imitating the guest-host concept of clathrate compounds. In total 44 metastable phases are presented, of which 11 exhibit direct or quasi-direct band-gaps in the range of $\approx$1.0-1.8 eV, close to the optimal Shockley-Queisser limit of $\approx$1.4 eV, with a stronger overlap of the absorption spectra with the solar spectrum compared to conventional diamond silicon. Due to the structural resemblance to known clathrate compounds it is expected that the predicted phases can be synthesized.

Fluids confined in wedges and by edges: From cluster integrals to thermodynamic properties referred to different regions.

Recently, new insights into the relation between the geometry of the vessel that confines a fluid and its thermodynamic properties were traced through the study of cluster integrals for inhomogeneous fluids. In this work, I analyze the thermodynamic properties of fluids confined in wedges or by edges, emphasizing on the question of the region to which these properties refer. In this context, the relations between the line-thermodynamic properties referred to different regions are derived as analytic functions of the dihedral angle α, for 0 < α < 2π, which enables a unified approach to both edges and wedges. As a simple application of these results, I analyze the properties of the confined gas in the low-density regime. Finally, using recent analytic results for the second cluster integral of the confined hard sphere fluid, the low density behavior of the line thermodynamic properties is analytically studied up to order two in the density for 0 < α < 2π and by adopting different reference regions.

On the dangers of partial diagrammatic summations: Benchmarks for the two-dimensional Hubbard model in the weak-coupling regime

We study the two-dimensional Hubbard model in the weak-coupling regime and compare the self-energy obtained from various approximate diagrammatic schemes to the result of diagrammatic Monte Carlo simulations, which sum up all weak-coupling diagrams up to a given order. While dynamical mean-field theory provides a good approximation for the local part of the self-energy, including its frequency dependence, the partial summation of bubble and/or ladder diagrams typically yields worse results than second order perturbation theory. Even widely used self-consistent schemes such as GW or the fluctuation-exchange approximation (FLEX) are found to be unreliable. Combining the dynamical mean-field self-energy with the nonlocal component of GW in GW+DMFT yields improved results for the local self-energy and nonlocal self-energies of the correct order of magnitude, but here, too, a more reliable scheme is obtained by restricting the nonlocal contribution to the second order diagram. FLEX+DMFT is found to give accurate results in the low-density regime, but even worse results than FLEX near half-filling.

Rashba-coupling modelling for two-dimensional and high-order Rashba Hamiltonian for one-dimensional confined heavy holes

Based on the standard multiband Hamiltonian, we have deduced an explicit analytical expression for the Rashba-coupling parameter which clarifies its anomalous behavior for heavy holes , gated in quasi–two-dimensional (Q2D) systems, by letting the density grow. Our modelling agrees remarkably better with experimental results in comparison with earlier theoretical models, while it recovers the expected cubic dependence on the quasi-momentum. For quasi–one-dimensional (Q1D) hh systems, we have formally derived an effective Rashba Hamiltonian with two competitive terms on the quasi-momentum, a linear term and a cubic one as predicted from suitable approximations to the Q2D scope. The Rashba-coupling parameters also behave anomalously and qualitatively support recent experiments in core/shell nanowires. Furthermore, they exhibit an essential asymptotic discontinuity in the low-density regime as a function of the lateral confinement length. For hh, we present closed schemes to accurately quote the Rashba-coupling parameters both for the Q2D and Q1D systems, which become unprecedented for holes.

Understanding star formation in molecular clouds

We analyse column density and temperature maps derived from Herschel dust continuum observations of a sample of massive infrared dark clouds (G11.11-0.12, G18.82-0.28, G28.37+0.07, G28.53-0.25). We disentangle the velocity structure of the clouds using 13CO 1-0 and 12CO 3-2 data, showing that these IRDCs are the densest regions in massive giant molecular clouds and not isolated features. The probability distribution function (PDF) of column densities for all clouds have a power-law distribution over all (high) column densities, regardless of the evolutionary stage of the cloud: G11.11-0.12, G18.82-0.28, and G28.37+0.07 contain (proto)-stars, while G28.53-0.25 shows no signs of star formation. This is in contrast to the purely log-normal PDFs reported for near/mid-IR extinction maps. We only find a log-normal distribution for lower column densities, if we perform PDFs of the column density maps of the whole GMC in which the IRDCs are embedded. By comparing the PDF slope and the radial column density profile, we attribute the power law to the effect of large-scale gravitational collapse and to local free-fall collapse of pre- and protostellar cores. Independent from the PDF analysis, we find infall signatures in the spectral profiles of 12CO for G28.37+0.07 and G11.11-0.12, supporting the scenario of gravitational collapse. IRDCs are the densest regions within GMCs, which may be the progenitors of massive stars or clusters. At least some of the IRDCs are probably the same features as ridges (high column density regions with N>1e23 cm-2 over small areas), which were defined for nearby IR-bright GMCs. Because IRDCs are only confined to the densest (gravity dominated) cloud regions, the PDF constructed from this kind of a clipped image does not represent the (turbulence dominated) low column density regime of the cloud.

Excitonic condensation in spatially separated one-dimensional systems

We show theoretically that excitons can form from spatially separated one-dimensional ground state populations of electrons and holes, and that the resulting excitons can form a quasicondensate. We describe a mean-field Bardeen-Cooper-Schrieffer theory in the low carrier density regime and then focus on the core-shell nanowire giving estimates of the size of the excitonic gap for InAs/GaSb wires and as a function of all the experimentally relevant parameters. We find that optimal conditions for pairing include small overlap of the electron and hole bands, large effective mass of the carriers, and low dielectric constant of the surrounding media. Therefore, one-dimensional systems provide an attractive platform for the experimental detection of excitonic quasicondensation in zero magnetic field.

FFLO order in ultra-cold atoms in three-dimensional optical lattices

We investigate different ground-state phases of attractive spin-imbalanced populations of fermions in three-dimensional optical lattices. Detailed numerical calculations are performed using Hartree–Fock–Bogoliubov theory to determine the ground-state properties systematically for different values of density, spin polarization and interaction strength. We first consider the high density and low polarization regime, in which the effect of the optical lattice is most evident. We then proceed to the low density and high polarization regime where the effects of the underlying lattice are less significant and the system begins to resemble a continuum Fermi gas. We explore the effects of density, polarization and interaction on the character of the phases in each regime and highlight the qualitative differences between the two regimes. In the high-density regime, the order is found to be of Larkin–Ovchinnikov type, linearly oriented with one characteristic wave vector but varying in its direction with the parameters. At lower densities the order parameter develops more structures involving multiple wave vectors.

Holographic nucleons in the nuclear medium

We investigate the nucleon's rest mass and dispersion relation in the nuclear medium which is holographically described by the thermal charged AdS geometry. With this background, the chiral condensate plays an important role to determine the nucleon's mass in both the vacuum and the nuclear medium. It also significantly modifies the nucleon's dispersion relation. The nucleon's mass in the high density regime increases with density as expected, while in the low density regime it slightly decreases. We further study the splitting of the nucleon's energies caused by the isospin interaction with the nuclear medium.

Phase diagram of the one-dimensional t-J model with long-range dipolar interactions

We study systematically the effect of long-range dipolar interactions on the ground-state phase diagram of the one-dimensional model by means of the density matrix renormalization group. While the basic phases described by the Luttinger parameter , namely, the repulsive Luttinger liquid (metallic phase, ), attractive Luttinger liquid (superconducting phase, ), and the phase separation , are similar to those of the conventional model, the presence of the long-range dipolar interactions leads to significant differences. i) At high-density regime, the phase boundaries of these three phases are even pushed to the large-J region; ii) at low-density regime, these phase boundaries shift toward the small-J region and, most importantly, iii) the spin-gap region spreads across the boundary of , suggesting an exotic metallic phase with spin-gap, which is absent in the conventional model. The result indicates that the long-range dipolar interactions have a significant influence on the ground-state properties of the one-dimensional model. Its implication on the pseudogap phenomenon of the hole-doped cuprates is briefly discussed.

Backward clusters, hierarchy and wild sums for a hard sphere system in a low-density regime

We study the statistics of backward clusters in a gas of hard spheres at low density. A backward cluster is defined as the group of particles involved directly or indirectly in the backwards-in-time dynamics of a given tagged sphere. We derive upper and lower bounds on the average size of clusters by using the theory of the homogeneous Boltzmann equation combined with suitable hierarchical expansions. These representations are known in the easier context of Maxwellian molecules (Wild sums). We test our results with a numerical experiment based on molecular dynamics simulations.

Derivation of the Fick’s Law for the Lorentz Model in a Low Density Regime

We consider the Lorentz model in a slab with two mass reservoirs at the boundaries. We show that, in a low density regime, there exists a unique stationary solution for the microscopic dynamics which converges to the stationary solution of the heat equation, namely to the linear profile of the density. In the same regime the macroscopic current in the stationary state is given by the Fick's law, with the diffusion coefficient determined by the Green-Kubo formula.

Turbulent transport analysis of JET H-mode and hybrid plasmas using QuaLiKiz and Trapped Gyro Landau Fluid

The physical transport processes at the basis of JET typical inductive H-mode scenarios and advanced hybrid regimes, with improved thermal confinement, are analyzed by means of some of the newest and more sophisticated quasi-linear transport models: trapped gyro Landau fluid (TGLF) and QuaLiKiz. The temporal evolution of JET pulses is modelled by CRONOS where the turbulent transport is modelled by either QuaLiKiz or TGLF. Both are first principle models with a more comprehensive physics than the models previously developed and therefore allow the analysis of the physics at the basis of the investigated scenarios. For H-modes, ion temperature gradient (ITG) modes are found to be dominant and the transport models are able to properly reproduce temperature profiles in self-consistent simulations. However, for hybrid regimes, in addition to ITG trapped electron modes (TEM) are also found to be important and different physical mechanisms for turbulence reduction play a decisive role. Whereas E × B flow shear and plasma geometry have a limited impact on turbulence, the presence of a large population of fast ions, quite important in low density regimes, can stabilize core turbulence mainly when the electromagnetic effects are taken into account. The TGLF transport model properly captures these mechanisms and correctly reproduces temperatures.

Charge transport in ion-gated mono-, bi-, and trilayer MoS2 field effect transistors.

Charge transport in MoS2 in the low carrier density regime is dominated by trap states and band edge disorder. The intrinsic transport properties of MoS2 emerge in the high density regime where conduction occurs via extended states. Here, we investigate the transport properties of mechanically exfoliated mono-, bi-, and trilayer MoS2 sheets over a wide range of carrier densities realized by a combination of ion gel top gate and SiO2 back gate, which allows us to achieve high charge carrier (>1013 cm−2) densities. We discuss the gating properties of the devices as a function of layer thickness and demonstrate resistivities as low as 1 kΩ for monolayer and 420 Ω for bilayer devices at 10 K. We show that from the capacitive coupling of the two gates, quantum capacitance can be roughly estimated to be on the order of 1 μF/cm2 for all devices studied. The temperature dependence of the carrier mobility in the high density regime indicates that short-range scatterers limit charge transport at low temperatures.

Material discrimination using scattering and stopping of cosmic ray muons and electrons: Differentiating heavier from lighter metals as well as low-atomic weight materials

Reported is a new method to apply cosmic-ray tomography in a manner that can detect and characterize not only dense assemblages of heavy nuclei (like Special Nuclear Materials, SNM) but also assemblages of medium- and light-atomic-mass materials (such as metal parts, conventional explosives, and organic materials). Characterization may enable discrimination between permitted contents in commerce and contraband (explosives, illegal drugs, and the like). Our Multi-Mode Passive Detection System (MMPDS) relies primarily on the muon component of cosmic rays to interrogate Volumes of Interest (VOI). Muons, highly energetic and massive, pass essentially un-scattered through materials of light atomic mass and are only weakly scattered by conventional metals used in industry. Substantial scattering and absorption only occur when muons encounter sufficient thicknesses of heavy elements characteristic of lead and SNM. Electrons are appreciably scattered by light elements and stopped by sufficient thicknesses of materials containing medium-atomic-mass elements (mostly metals). Data include simulations based upon GEANT and measurements in the HMT (Half Muon Tracker) detector in Poway, CA and a package scanner in both Poway and Socorro NM. A key aspect of the present work is development of a useful parameter, designated the “stopping power” of a sample. The low-density regime, comprising organic materials up to aluminum, is characterized using very little scattering but a strong variation in stopping power. The medium-to-high density regime shows a larger variation in scattering than in stopping power. The detection of emitted gamma rays is another useful signature of some materials.

Quantum longitudinal and Hall transport at the LaAlO3/SrTiO3 interface at low electron densities

We examined the magneto-transport behavior of electrons confined at the conducting LaAlO3/SrTiO3 interface in the low sheet carrier density regime. We observed well-resolved Shubnikov-de Haas quantum oscillations in the longitudinal resistance, and plateau-like structures in the Hall conductivity. The Landau indices of the plateaus in the Hall conductivity data show spacing close to 4, in units of the quantum of conductance. These experimental features can be explained by a magnetic breakdown transition, which quantitatively explains the area, structure, and degeneracy of the measured Fermi surface.

Structure of arginine overlayers at the aqueous gold interface: implications for nanoparticle assembly.

Adsorption of small biomolecules onto the surface of nanoparticles offers a novel route to generation of nanoparticle assemblies with predictable architectures. Previously, ligand-exchange experiments on citrate-capped gold nanoparticles with the amino acid arginine were reported to support linear nanoparticle assemblies. Here, we use a combination of atomistic modeling with experimental characterization to explore aspects of the assembly hypothesis for these systems. Using molecular simulation, we probe the structural and energetic characteristics of arginine overlayers on the Au(111) surface under aqueous conditions at both low- and high-coverage regimes. In the low-density regime, the arginines lie flat on the surface. At constant composition, these overlayers are found to be lower in energy than the densely packed films, although the latter case appears kinetically stable when arginine is adsorbed via the zwitterion group, exposing the charged guanidinium group to the solvent. Our findings suggest that zwitterion-zwitterion hydrogen bonding at the gold surface and minimization of the electrostatic repulsion between adjacent guanidinium groups play key roles in determining arginine overlayer stability at the aqueous gold interface. Ligand-exchange experiments of citrate-capped gold nanoparticles with arginine derivatives agmatine and N-methyl-l-arginine reveal that modification at the guanidinium group significantly diminishes the propensity for linear assembly of the nanoparticles.

Superradiance of degenerate Fermi gases in a cavity.

In this Letter we consider spinless Fermi gases placed inside a cavity and study the critical strength of a pumping field for driving a superradiance transition. We emphasize that the Fermi surface nesting effect can strongly enhance the superradiance tendency. Around certain fillings, when the Fermi surface is nearly nested with a relevant nesting momentum, the susceptibility of the system toward a checkboard density-wave ordered state is greatly enhanced in comparison with a Bose gas with the same density, because of which a much smaller (sometime even vanishingly small) critical pumping field strength can give rise to superradiance. This effect leads to interesting reentrance behavior and a topologically distinct structure in the phase diagram. Away from these fillings, the Pauli exclusion principle brings about the dominant effect for which the critical pumping strength is lowered in the low-density regime and increased in the high-density regime. These results open the prospect of studying the rich phenomena of degenerate Fermi gases in a cavity.

Range-separated Brueckner coupled cluster doubles theory.

We introduce a range-separation approximation to coupled cluster doubles (CCD) theory that successfully overcomes limitations of regular CCD when applied to the uniform electron gas. We combine the short-range ladder channel with the long-range ring channel in the presence of a Bruckner renormalized one-body interaction and obtain ground-state energies with an accuracy of 0.001 a.u./electron across a wide range of density regimes. Our scheme is particularly useful in the low-density and strongly correlated regimes, where regular CCD has serious drawbacks. Moreover, we cure the infamous overcorrelation of approaches based on ring diagrams (i.e., the particle-hole random phase approximation). Our energies are further shown to have appropriate basis set and thermodynamic limit convergence, and overall this scheme promises energetic properties for realistic periodic and extended systems which existing methods do not possess.

Dendrite Growth in Lithium Metal Batteries – Stability Analysis of Electrodeposition Across Tethered Anion Electrolytes

Lithium metal batteries have reliability issues due to formation of dendrites during the recharge cycle. These dendrites grow due to electrodeposition of lithium on their tips and eventually short the battery internally. An analysis by Chazalviel [1]showed that the cause lay in the migration of anions away from the cathode leading to the formation of large electric fields in its vicinity. The electric field lines converge on dendrite tips leading to preferential deposition on the tips and dendrite growth.We propose a structured electrolyte with a fraction of the anions tethered in place to a solid matrix to prevent their migration away from the cathode (Fig 1). This is expected to modify the transport within the battery and increase the stability of electrodeposition. The fraction of fixed anions is considered as a parameter in our analysis. We model the electrolyte with diffusion-migration equations for the cation and the mobile anion for varying current densities. Solving the governing equations with appropriate boundary conditions shows that two regimes of transport are present depending on the current passing through the cell. At low current densities, the transport is governed almost entirely by diffusion of the mobile ions. At higher current densities, the mobile anions pile up against the anode and are depleted at the cathode leading to the formation of a zone possessing only the fixed anions and the concentration of cations required to balance their charge. This electromigration dominated region grows with increasing current density and facilitates the passage of currents beyond the diffusion limit. It ensures that the conductivity remains finite throughout the electrolyte and reduces the electric field at the cathode (Fig 2).We further perform a stability analysis of the electrodeposition incorporating the effect of surface tension as a stabilizing agent. Surface tension alters the chemical equilibrium at the cathode to slow the reaction at the crests and accelerate it at the troughs. The stability analysis is performed in both the high and low current density regimes. For the high current density regime, we consider a two-region model wherein part of the inter-electrode spacing has diffusion-dominated transport while the remainder has migration-dominated transport. In the low current density regime, diffusion is the only mode of transport in the electrolyte. Two parameters are extracted from the analysis, viz. the critical wavenumber of perturbations at which transport is rendered stable by surface tension and the growth rate of the most unstable perturbation mode (Fig 3) as metrics of the stability of electrodeposition.The stability analysis shows that both the critical wavenumber and the growth rate of the most unstable mode can be reduced by tethering anions, thereby increasing the range of stable wavenumbers. Even a moderate amount of tethered anions as small as 10% is effective in stabilizing the electrodeposition at high currents. At low currents, however, the effect is less dramatic. For higher fractions of tethered anions, approaching the limit of single ion conductors, the findings show that the factors affecting dendrite growth are much more mitigated than conventional salt-based electrolytes. However, the proposed electrolyte does not completely stop dendrite growth.