Phase diagram of H2 adsorbed on graphene

The phase diagram of the first layer of H$_2$ adsorbed on top of a single graphene sheet has been calculated by means of a series of diffusion Monte Carlo (DMC) simulations. We have found that, as in the case of $^4$He, the ground state of molecular hydrogen is a $\sqrt3 \times \sqrt3$ commensurate structure, followed, upon a pressure increase, by an incommensurate triangular solid. A striped phase of intermediate density was also considered, and found lying on top of the equilibrium curve separating both commensurate and incommensurate solids.Comment: 5 pages, 3 figure

Signatures of the Milky Way's Dark Disk in Current and Future Experiments

In hierarchical structure formation models of disk galaxies, a dark matter disk forms as massive satellites are preferentially dragged into the disk-plane where they dissolve. Here, we quantify the importance of this dark disk for direct and indirect dark matter detection. The low velocity of the dark disk with respect to the Earth enhances detection rates in direct detection experiments at low recoil energy. For WIMP masses M_{WIMP} >~ 50 GeV, the detection rate increases by up to a factor of 3 in the 5 - 20 keV recoil energy range. Comparing this with rates at higher energy is sensitive to M_{WIMP}, providing stronger mass constraints particularly for M_{WIMP}>~100 GeV. The annual modulation signal is significantly boosted by the dark disk and the modulation phase is shifted by ~3 weeks relative to the dark halo. The variation of the observed phase with recoil energy determines M_{WIMP}, once the dark disk properties are fixed by future astronomical surveys. The low velocity of the particles in the dark disk with respect to the solar system significantly enhances the capture rate of WIMPs in the Sun, leading to an increased flux of neutrinos from the Sun which could be detected in current and future neutrino telescopes. The dark disk contribution to the muon flux from neutrino back conversion at the Earth is increased by a factor of ~5 compared to the SHM, for rho_d/rho_h=0.5.Comment: 5 pages, 7 figures, To appear in the proceedings of Identification of Dark Matter 2008 (IDM2008), Stockholm, 18-22 August 2008; corrected one referenc

Quantized vortices around wavefront nodes, 2

Quantized vortices can occur around nodal points in wavefunctions. The derivation depends only on the wavefunction being single valued, continuous, and having continuous first derivatives. Since the derivation does not depend upon the dynamical equations, the quantized vortices are expected to occur for many types of waves such as electromagnetic and acoustic. Such vortices have appeared in the calculations of the H + H2 molecular collisions and play a role in the chemical kinetics. In a companion paper, it is shown that quantized vortices occur when optical waves are internally reflected from the face of a prism or particle beams are reflected from potential energy barriers

Many-body dispersion effects in the binding of adsorbates on metal surfaces

A correct description of electronic exchange and correlation effects for molecules in contact with extended (metal) surfaces is a challenging task for first-principles modeling. In this work we demonstrate the importance of collective van der Waals dispersion effects beyond the pairwise approximation for organic--inorganic systems on the example of atoms, molecules, and nanostructures adsorbed on metals. We use the recently developed many-body dispersion (MBD) approach in the context of density-functional theory [Phys. Rev. Lett. 108, 236402 (2012); J. Chem. Phys. 140, 18A508 (2014)] and assess its ability to correctly describe the binding of adsorbates on metal surfaces. We briefly review the MBD method and highlight its similarities to quantum-chemical approaches to electron correlation in a quasiparticle picture. In particular, we study the binding properties of xenon, 3,4,9,10-perylene-tetracarboxylic acid (PTCDA), and a graphene sheet adsorbed on the Ag(111) surface. Accounting for MBD effects we are able to describe changes in the anisotropic polarizability tensor, improve the description of adsorbate vibrations, and correctly capture the adsorbate--surface interaction screening. Comparison to other methods and experiment reveals that inclusion of MBD effects improves adsorption energies and geometries, by reducing the overbinding typically found in pairwise additive dispersion-correction approaches

Supersolidity in quantum films adsorbed on graphene and graphite

Using quantum Monte Carlo we have studied the superfluid density of the first layer of $^4$He and H$_2$ adsorbed on graphene and graphite. Our main focus has been on the equilibrium ground state of the system, which corresponds to a registered $\sqrt3 \times \sqrt3$ phase. The perfect solid phase of H$_2$ shows no superfluid signal whereas $^4$He has a finite but small superfluid fraction (0.67%). The introduction of vacancies in the crystal makes the superfluidity increase, showing values as large as 14% in $^4$He without destroying the spatial solid order.Comment: 5 pages, accepted for publication in PR

Spectroscopy of Nine Cataclysmic Variable Stars

We present optical spectroscopy of nine cataclysmic binary stars, mostly dwarf novae, obtained primarily to determine orbital periods Porb. The stars and their periods are LX And, 0.1509743(5) d; CZ Aql, 0.2005(6) d; LU Cam, 0.1499686(4) d; GZ Cnc, 0.0881(4) d; V632 Cyg, 0.06377(8) d; V1006 Cyg, 0.09903(9) d; BF Eri, 0.2708804(4) d; BI Ori, 0.1915(5) d; and FO Per, for which Porb is either 0.1467(4) or 0.1719(5) d. Several of the stars proved to be especially interesting. In BF Eri, we detect the absorption spectrum of a secondary star of spectral type K3 +- 1 subclass, which leads to a distance estimate of approximately 1 kpc. However, BF Eri has a large proper motion (100 mas/yr), and we have a preliminary parallax measurement that confirms the large proper motion and yields only an upper limit for the parallax. BF Eri's space velocity is evidently large, and it appears to belong to the halo population. In CZ Aql, the emission lines have strong wings that move with large velocity amplitude, suggesting a magnetically-channeled accretion flow. The orbital period of V1006 Cyg places it squarely within the 2- to 3-hour "gap" in the distribution of cataclysmic binary orbital periods.Comment: 31 pages, 5 postscript and one PNG figure. Accepted for PAS

Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces

Exploring the role of van der Waals (vdW) forces on the adsorption of molecules on extended metal surfaces has become possible in recent years thanks to exciting developments in density functional theory (DFT). Among these newly developed vdW-inclusive methods, interatomic vdW approaches that account for the nonlocal screening within the bulk [V. G. Ruiz, W. Liu, E. Zojer, M. Scheffler, and A. Tkatchenko, Phys. Rev. Lett. 108, 146103 (2012)] and improved nonlocal functionals [J. Klimes, D. R. Bowler, and A. Michaelides, J. Phys.: Condens. Matter 22, 022201(2010)] have emerged as promising candidates to account efficiently and accurately for the lack of long-range vdW forces in most popular DFT exchange-correlation functionals. Here we have used these two approaches to compute benzene adsorption on a range of close-packed (111) surfaces upon which it either physisorbs (Cu, Ag, and Au) or chemisorbs (Rh, Pd, Ir, and Pt). We have thoroughly compared the performance between the two classes of vdW-inclusive methods and when available compared the results obtained with experimental data. By examining the computed adsorption energies, equilibrium distances, and binding curves we conclude that both methods allow for an accurate treatment of adsorption at equilibrium adsorbate-substrate distances. To this end, explicit inclusion of electrodynamic screening in the interatomic vdW scheme and optimized exchange functionals in the case of nonlocal vdW density functionals is mandatory. Nevertheless, some discrepancies are found between these two classes of methods at large adsorbate-substrate separations

Xe films on a decagonal Al-Ni-Co quasicrystal surface

The grand canonical Monte Carlo method is employed to study the adsorption of Xe on a quasicrystalline Al-Ni-Co surface. The calculation uses a semiempirical gas-surface interaction, based on conventional combining rules and the usual Lennard-Jones Xe-Xe interaction. The resulting adsorption isotherms and calculated structures are consistent with the results of LEED experimental data. In this paper we focus on five features not discussed earlier (Phys. Rev. Lett. 95, 136104 (2005)): the range of the average density of the adsorbate, the order of the transition, the orientational degeneracy of the ground state, the isosteric heat of adsorption of the system, and the effect of the vertical cell dimension.Comment: 6 pages, 5 pic

Melting of a p-H2 monolayer on a lithium substrate

Adsorption of para-hydrogen films on Alkali metals substrates at low temperature is studied theoretically by means of Path Integral Monte Carlo simulations. Realistic potentials are utilized to model the interaction between two para-hydrogen molecules, as well as between a para-hydrogenmolecule and the substrate, assumed smooth. Results show that adsorption of para-hydrogen on a Lithium substrate, the most attractive among the Alkali, occurs through completion of successive solid adlayers. Each layer has a two-dimensional density approximatley equal 0.070 inverse square Angstroms. A solid para-hydrogen monolayer displays a higher degree of confinement, in the direction perpendicular to the substrate, than a monolayer Helium film, and has a melting temperature of about 6.5 K. The other Alkali substrates are not attractive enough to be wetted by molecular hydrogen at low temperature. No evidence of a possible superfluid phase of para-hydrogen is seen in these systems.Comment: Scales on the y-axis in Figs. 4,5 and 7 are off by a factor 2 in published version; corrected her