The X-ray spectrum of Fe XVII revisited with a multi-ion model

The theoretical intensities of the soft X-ray Fe XVII lines arising from 2l-3l' transitions are reexamined using a three-ion collisional-radiative model that includes the contributions to line formation of radiative recombination (RR), dielectronic recombination (DR), resonant excitation (RE), and inner-shell collisional ionization (CI), in addition to the usual contribution of collisional excitation (CE). These additional processes enhance mostly the 2p-3s lines and not the 2p-3d lines. Under coronal equilibrium conditions, in the electron temperature range of 400 to 600 eV where the Fe XVII line emissivities peak, the combined effect of the additional processes is to enhance the 2p-3s lines at 16.78, 17.05, and 17.10 A, by ~ 25%, 30%, and 55%, respectively, compared with their traditional, single-ion CE values. The weak 2p-3d line at 15.45 A is also enhanced by up to 20%, while the other 2p-3d lines are almost unaffected. The effects of DR and RE are found to be dominant in this temperature range (400 - 600 eV), while that of CI is 3% at the most, and the contribution of RR is less than 1%. At lower temperatures, where the Fe XVII / Fe XVIII abundance ratio is high, the RE effect dominates. However, as the temperature rises and the Fe XVIII abundance increases, the DR effect takes over. The newly calculated line powers can reproduce most of the often observed high values of the (I17.05 + I17.10) / I15.01 intensity ratio. The importance of ionization and recombination processes to the line strengths also helps to explain why laboratory measurements in which CE is essentially the sole mechanism agree well with single-ion calculations, but do not reproduce the astrophysically observed ratios.Comment: Submitted to Ap

Complete phase diagram of the spin-1/2 J1J_{1}-J2J_{2}-J3J_{3} model (with J3=J2J_{3}=J_{2}) on the honeycomb lattice

We use the coupled cluster method to investigate the ground-state (GS) properties of the frustrated spin-1/2 $J_{1}$-$J_{2}$-$J_{3}$ model on the honeycomb lattice, with nearest-neighbor exchange coupling $J_1$ plus next-nearest-neighbor ($J_2$) and next-next-nearest-neighbor ($J_3$) exchanges of equal strength. In particular we find a direct first-order phase transition between the N\'eel-ordered antiferromagnetic phase and the ferromagnetic phase at a value $J_{2}/J_{1} = -1.17 \pm 0.01$ when $J_{1}>0$, compared to the corresponding classical value of -1. We find no evidence for any intermediate phase. From this and our previous CCM studies of the model we present its full zero-temperature GS phase diagram.Comment: 4 pages, 4 figure

Sign Rules for Anisotropic Quantum Spin Systems

We present new and exact ``sign rules'' for various spin-s anisotropic spin-lattice models. It is shown that, after a simple transformation which utilizes these sign rules, the ground-state wave function of the transformed Hamiltonian is positive-definite. Using these results exact statements for various expectation values of off-diagonal operators are presented, and transitions in the behavior of these expectation values are observed at particular values of the anisotropy. Furthermore, the effects of sign rules in variational calculations and quantum Monte Carlo calculations are considered. They are illustrated by a simple variational treatment of a one-dimensional anisotropic spin model.Comment: 4 pages, 1 ps-figur

Quantum Spins and Quantum Links: The D-Theory Approach to Field Theory

A new non-perturbative approach to quantum field theory is proposed. Instead of performing a path integral over configurations of classical fields, D-theory works with discrete quantized variables. Classical spin fields are replaced by quantum spins, and classical gauge fields are replaced by quantum links. The classical fields of a d-dimensional quantum field theory reappear as low-energy effective degrees of freedom of the discrete variables, provided the (d+1)-dimensional D-theory is massless. When the extent of the extra Euclidean dimension becomes small in units of the correlation length, an ordinary d-dimensional quantum field theory emerges by dimensional reduction. The D-theory formulation of some spin models and gauge theories is constructed explicitly. In particular, QCD emerges as a quantum link model.Comment: LATTICE98(plenary talk

Novel massless phase of Haldane-gap antiferromagnets in magnetic field

The behavior of Haldane-gap antiferromagnets in strong magnetic field is not universal. While the low-energy physics of the conventional 1D spin-1 Heisenberg model in its magnetized regime is described by one incommensurate soft mode, other systems with somewhat perturbed coupling constants can possess two characteristic soft modes in a certain range of the field strength. Such a {\em two}-component Lutinger liquid phase is realised above the massive Haldane-gap phase, and in general above any massive nonmagnetic phase, when the ground state exhibits short range incommensurate fluctuations already in the absence of the field.Comment: 4 pages, 2 eps figures, to appear in Phys Rev B: Rapid Communication

Numerical and approximate analytical results for the frustrated spin-1/2 quantum spin chain

We study the $T=0$ frustrated phase of the $1D$ quantum spin-$\frac 12$ system with nearest-neighbour and next-nearest-neighbour isotropic exchange known as the Majumdar-Ghosh Hamiltonian. We first apply the coupled-cluster method of quantum many-body theory based on a spiral model state to obtain the ground state energy and the pitch angle. These results are compared with accurate numerical results using the density matrix renormalisation group method, which also gives the correlation functions. We also investigate the periodicity of the phase using the Marshall sign criterion. We discuss particularly the behaviour close to the phase transitions at each end of the frustrated phase.Comment: 17 pages, Standard Latex File + 7 PostScript figures in separate file. Figures also can also be requested from [email protected]

Unraveling CO adsorption on model single-atom catalysts

Understanding how the local environment of a "single-atom" catalyst affects stability and reactivity remains a challenge. We present an in-depth study of copper1, silver1, gold1, nickel1, palladium1, platinum1, rhodium1, and iridium1 species on Fe3O4(001), a model support in which all metals occupy the same twofold-coordinated adsorption site upon deposition at room temperature. Surface science techniques revealed that CO adsorption strength at single metal sites differs from the respective metal surfaces and supported clusters. Charge transfer into the support modifies the d-states of the metal atom and the strength of the metal-CO bond. These effects could strengthen the bond (as for Ag1-CO) or weaken it (as for Ni1-CO), but CO-induced structural distortions reduce adsorption energies from those expected on the basis of electronic structure alone. The extent of the relaxations depends on the local geometry and could be predicted by analogy to coordination chemistry

Quantum Link Models: A Discrete Approach to Gauge Theories

We construct lattice gauge theories in which the elements of the link matrices are represented by non-commuting operators acting in a Hilbert space. These quantum link models are related to ordinary lattice gauge theories in the same way as quantum spin models are related to ordinary classical spin systems. Here U(1) and SU(2) quantum link models are constructed explicitly. As Hamiltonian theories quantum link models are nonrelativistic gauge theories with potential applications in condensed matter physics. When formulated with a fifth Euclidean dimension, universality arguments suggest that dimensional reduction to four dimensions occurs. Hence, quantum link models are also reformulations of ordinary quantum field theories and are applicable to particle physics, for example to QCD. The configuration space of quantum link models is discrete and hence their numerical treatment should be simpler than that of ordinary lattice gauge theories with a continuous configuration space.Comment: 18 pages, Latex, no figures, final version to appear in Nuclear Physics B, references to earlier work by Horn, Orland and Rohrlich include

Scenario planning for the Edinburgh city region

This paper examines the application of scenario planning techniques to the detailed and daunting challenge of city re-positioning when policy makers are faced with a heavy history and a complex future context. It reviews a process of scenario planning undertaken in the Edinburgh city region, exploring the scenario process and its contribution to strategies and policies for city repositioning. Strongly rooted in the recent literature on urban and regional economic development, the text outlines how key individuals and organisations involved in the process participated in far-reaching analyses of the possible future worlds in which the Edinburgh city region might find itself