Inverse pressure-induced Mott transition in TiPO4_4

TiPO$_4$ shows interesting structural and magnetic properties as temperature and pressure are varied, such as a spin-Peierls phase transition and the development of incommensurate modulations of the lattice. Recently, high pressure experiments for TiPO$_4$ reported two new structural phases appearing at high pressures, the so-called phases IV and V [M. Bykov et al., Angew. Chem. Int. Ed. 55, 15053]. The latter was shown to include the first example of 5-fold O-coordinated P-atoms in an inorganic phosphate compound. In this work we characterize the electronic structure and other physical properties of these new phases by means of ab-initio calculations, and investigate the structural transition. We find that the appearance of phases IV and V coincides with a collapse of the Mott insulating gap and quenching of magnetism in phase III as pressure is applied. Remarkably, our calculations show that in the high pressure phase V, these features reappear, leading to an antiferromagnetic Mott insulating phase, with robust local moments

A Variational Approach for Minimizing Lennard-Jones Energies

A variational method for computing conformational properties of molecules with Lennard-Jones potentials for the monomer-monomer interactions is presented. The approach is tailored to deal with angular degrees of freedom, {\it rotors}, and consists in the iterative solution of a set of deterministic equations with annealing in temperature. The singular short-distance behaviour of the Lennard-Jones potential is adiabatically switched on in order to obtain stable convergence. As testbeds for the approach two distinct ensembles of molecules are used, characterized by a roughly dense-packed ore a more elongated ground state. For the latter, problems are generated from natural frequencies of occurrence of amino acids and phenomenologically determined potential parameters; they seem to represent less disorder than was previously assumed in synthetic protein studies. For the dense-packed problems in particular, the variational algorithm clearly outperforms a gradient descent method in terms of minimal energies. Although it cannot compete with a careful simulating annealing algorithm, the variational approach requires only a tiny fraction of the computer time. Issues and results when applying the method to polyelectrolytes at a finite temperature are also briefly discussed.Comment: 14 pages, uuencoded compressed postscript fil

Absence of Conventional Spin-Glass Transition in the Ising Dipolar System LiHo_xY_{1-x}F_4

The magnetic properties of single crystals of LiHo_xY_{1-x}F_4 with x=16.5% and x=4.5% were recorded down to 35 mK using a micro-SQUID magnetometer. While this system is considered as the archetypal quantum spin glass, the detailed analysis of our magnetization data indicates the absence of a phase transition, not only in a transverse applied magnetic field, but also without field. A zero-Kelvin phase transition is also unlikely, as the magnetization seems to follow a non-critical exponential dependence on the temperature. Our analysis thus unmasks the true, short-ranged nature of the magnetic properties of the LiHo_xY_{1-x}F_4 system, validating recent theoretical investigations suggesting the lack of phase transition in this system.Comment: 5 pages, 4 figure

Constraining dark matter halo properties using lensed SNLS supernovae

This paper exploits the gravitational magnification of SNe Ia to measure properties of dark matter haloes. The magnification of individual SNe Ia can be computed using observed properties of foreground galaxies and dark matter halo models. We model the dark matter haloes of the galaxies as truncated singular isothermal spheres with velocity dispersion and truncation radius obeying luminosity dependent scaling laws. A homogeneously selected sample of 175 SNe Ia from the first 3-years of the Supernova Legacy Survey (SNLS) in the redshift range 0.2 < z < 1 is used to constrain models of the dark matter haloes associated with foreground galaxies. The best-fitting velocity dispersion scaling law agrees well with galaxy-galaxy lensing measurements. We further find that the normalisation of the velocity dispersion of passive and star forming galaxies are consistent with empirical Faber-Jackson and Tully-Fisher relations, respectively. If we make no assumption on the normalisation of these relations, we find that the data prefer gravitational lensing at the 92 per cent confidence level. Using recent models of dust extinction we deduce that the impact of this effect on our results is very small. We also investigate the brightness scatter of SNe Ia due to gravitational lensing. The gravitational lensing scatter is approximately proportional to the SN Ia redshift. We find the constant of proportionality to be B = 0.055 +0.039 -0.041 mag (B < 0.12 mag at the 95 per cent confidence level). If this model is correct, the contribution from lensing to the intrinsic brightness scatter of SNe Ia is small for the SNLS sample.Comment: 11 pages, 7 figures, accepted for publication in MNRA

Existence of a phase transition under finite magnetic field in the long-range RKKY Ising spin glass Dyx_{x}Y1−x_{1-x}Ru2_{2}Si2_{2}

A phase transition of a model compound of the long-range Ising spin glass (SG) Dy$_{x}$Y$_{1-x}$Ru$_{2}$Si$_{2}$, where spins interact via the RKKY interaction, has been investigated. The static and the dynamic scaling analyses reveal that the SG phase transition in the model magnet belongs to the mean-field universality class. Moreover, the characteristic relaxation time in finite magnetic fields exhibits a critical divergent behavior as well as in zero field, indicating a stability of the SG phase in finite fields. The presence of the SG phase transition in field in the model magnet strongly syggests that the replica symmetry is broken in the long-range Ising SG.Comment: 4 pages, 4 figures, to be published in JPSJ (2010

Optical response of two-dimensional electron fluids beyond the Kohn regime: strong non-parabolic confinement and intense laser light

We investigate the linear and non-linear optical response of two-dimensional (2D) interacting electron fluids confined by a strong non-parabolic potential. We show that such fluids may exhibit higher-harmonic spectra under realistic experimental conditions. Higher harmonics arise as the electrons explore anharmonicities of the confinement potential (electron-electron interactions reduce this non-linear effect). This opens the possibility of controlling the optical functionality of such systems by engineering the confinement potential. Our results were obtained within time-dependent density-functional theory, employing the adiabatic local-density approximation. A classical hydrodynamical model is in good agreement with the quantum-mechanical results.Comment: 4 pages, 4 figure

Extended atomic data for oxygen abundance analyses

As the most abundant element in the universe after hydrogen and helium, oxygen plays a key role in planetary, stellar, and galactic astrophysics. Its abundance is especially influential on stellar structure and evolution, and as the dominant opacity contributor at the base of the Sun's convection zone it is central to the discussion around the solar modelling problem. However, abundance analyses require complete and reliable sets of atomic data. We present extensive atomic data for O I, by using the multiconfiguration Dirac-Hartree-Fock and relativistic configuration interaction methods. Lifetimes and transition probabilities for radiative electric dipole transitions are given and compared with results from previous calculations and available measurements. The accuracy of the computed transition rates is evaluated by the differences between the transition rates in Babushkin and Coulomb gauges, as well as by a cancellation factor analysis. Out of the 989 computed transitions in this work, 205 are assigned to the accuracy classes AA-B, that is, with uncertainties less than 10%, following the criteria defined by the National Institute of Standards and Technology Atomic Spectra Database. We discuss the influence of the new log(gf) values on the solar oxygen abundance and ultimately advocate $\log\epsilon_{\mathrm{O}}=8.70\pm0.04$.Comment: 13 pages, 5 figures; Accepted for publication in Astronomy & Astrophysic

The implications of maintaining Earth's hemispheric albedo symmetry for shortwave radiative feedbacks

The Earth's albedo is observed to be symmetric between the hemispheres on the annual mean timescale, despite the clear-sky albedo being asymmetrically higher in the Northern Hemisphere due to more land area and aerosol sources; this is because the mean cloud distribution currently compensates for the clear-sky asymmetry almost exactly. We investigate the evolution of the hemispheric difference in albedo in the Coupled Model Intercomparison Project Phase 6 (CMIP6) coupled model simulations following an abrupt quadrupling of CO2 concentrations, to which all models respond with an initial decrease of albedo in the Northern Hemisphere (NH) due to loss of Arctic sea ice. Models disagree over whether the net effect of NH cloud responses is to reduce or amplify initial NH albedo reductions. After the initial response, the evolution of the hemispheric albedo difference diverges among models, with some models remaining stably at their new hemispheric albedo difference and others returning towards their pre-industrial difference primarily through a reduction in SH cloud cover. Whereas local increases in cloud cover contribute to negative shortwave cloud feedback, the cross-hemispheric communicating mechanism found to be primarily responsible for restoring hemispheric symmetry in the models studied implies positive shortwave cloud feedback.</p

Spin Glasses: Model systems for non-equilibrium dynamics

Spin glasses are frustrated magnetic systems due to a random distribution of ferro- and antiferromagnetic interactions. An experimental three dimensional (3d) spin glass exhibits a second order phase transition to a low temperature spin glass phase regardless of the spin dimensionality. In addition, the low temperature phase of Ising and Heisenberg spin glasses exhibits similar non-equilibrium dynamics and an infinitely slow approach towards a thermodynamic equilibrium state. There are however significant differences in the detailed character of the dynamics as to memory and rejuvenation phenomena and the influence of critical dynamics on the behaviour. In this article, some aspects of the non-equilibrium dynamics of an Ising and a Heisenberg spin glass are briefly reviewed and some comparisons are made to other glassy systems that exhibit magnetic non-equilibrium dynamics.Comment: To appear in J. Phys.: Condens. Matter, Proceedings from HFM2003, Grenobl