Monte Carlo simulations of 2d hard core lattice gases

Monte Carlo simulations are used to study lattice gases of particles with extended hard cores on a two dimensional square lattice. Exclusions of one and up to five nearest neighbors (NN) are considered. These can be mapped onto hard squares of varying side length, $\lambda$ (in lattice units), tilted by some angle with respect to the original lattice. In agreement with earlier studies, the 1NN exclusion undergoes a continuous order-disorder transition in the Ising universality class. Surprisingly, we find that the lattice gas with exclusions of up to second nearest neighbors (2NN) also undergoes a continuous phase transition in the Ising universality class, while the Landau-Lifshitz theory predicts that this transition should be in the universality class of the XY model with cubic anisotropy. The lattice gas of 3NN exclusions is found to undergo a discontinuous order-disorder transition, in agreement with the earlier transfer matrix calculations and the Landau-Lifshitz theory. On the other hand, the gas of 4NN exclusions once again exhibits a continuous phase transition in the Ising universality class -- contradicting the predictions of the Landau-Lifshitz theory. Finally, the lattice gas of 5NN exclusions is found to undergo a discontinuous phase transition.Comment: 13 pages, lots of figure

Evolution of vacancy-related defects upon annealing of ion-implanted germanium

Positron annihilation spectroscopy was used to study defects created during the ion implantation and annealing of Ge. Ge and Si ions with energies from 600 keV to 2 MeV were implanted at fluences between 1×10 exp 12 cm exp−2 and 4×10 exp 14 cm exp−2. Ion channeling measurements on as-implanted samples show considerable lattice damage at a fluence of 1×10 exp 13 cm exp −2 and a fluence of 1×10 exp 14 cm exp -2 was enough to amorphize the samples. Positron experiments reveal that the average free volume in as-irradiated samples is of divacancy size. Larger vacancy clusters are formed during regrowth of the damaged layers when the samples are annealed in the temperature range 200–400 °C. Evolution of the vacancy-related defects upon annealing depends noticeably on fluence of ion implantation and for the highest fluences also on ion species.Peer reviewe

Fundamental measure theory for lattice fluids with hard core interactions

We present the extension of Rosenfeld's fundamental measure theory to lattice models by constructing a density functional for d-dimensional mixtures of parallel hard hypercubes on a simple hypercubic lattice. The one-dimensional case is exactly solvable and two cases must be distinguished: all the species with the same lebgth parity (additive mixture), and arbitrary length parity (nonadditive mixture). At the best of our knowledge, this is the first time that the latter case is considered. Based on the one-dimensional exact functional form, we propose the extension to higher dimensions by generalizing the zero-dimensional cavities method to lattice models. This assures the functional to have correct dimensional crossovers to any lower dimension, including the exact zero-dimensional limit. Some applications of the functional to particular systems are also shown.Comment: 22 pages, 7 figures, needs IOPP LaTeX styles file

Influence of silicon doping on vacancies and optical properties of AlxGa1-xN thin films

The authors have used positron annihilation spectroscopy and photoluminescence measurements to study the influence of silicon doping on vacancy formation in AlGaN:Si structures. The results show a correlation between the Doppler broadening measurements and the intensity from 510nm photoluminescence transition. The reduction in the W parameter when the [Si]∕[Al+Ga] fraction in the gas phase is above 3×10exp−4 indicates that the positrons annihilate in an environment where less Ga 3d electrons are present, i.e., they are trapped in group-III vacancies. The observation of vacancies at these silicon concentrations coincides with the onset of the photoluminescence transition at 510 nm.Peer reviewe

Multi-interaction mean-field renormalization group

We present an extension of the previously proposed mean-field renormalization method to model Hamiltonians which are characterized by more than just one type of interaction. The method rests on scaling assumptions about the magnetization of different sublattices of the given lattice and it generates as many flow equations as coupling constants without arbitrary truncations on the renormalized Hamiltonian. We obtain good results for the test case of Ising systems with an additional second-neighbor coupling in two and three dimensions. An application of the method is also done to a morphological model of interacting surfaces introduced recenlty by Likos, Mecke and Wagner [J. Chem. Phys. {\bf{102}}, 9350 (1995)]. PACS: 64.60.Ak, 64.60.Fr, 05.70.JkComment: Tex file and three macros appended at the end. Five figures available upon request to: [email protected], Fax: [+]39-40-224-60

Critical behavior of 2 and 3 dimensional ferro- and antiferromagnetic spin ice systems in the framework of the Effective Field Renormalization Group technique

In this work we generalize and subsequently apply the Effective Field Renormalization Group technique to the problem of ferro- and antiferromagnetically coupled Ising spins with local anisotropy axes in geometrically frustrated geometries (kagome and pyrochlore lattices). In this framework, we calculate the various ground states of these systems and the corresponding critical points. Excellent agreement is found with exact and Monte Carlo results. The effects of frustration are discussed. As pointed out by other authors, it turns out that the spin ice model can be exactly mapped to the standard Ising model but with effective interactions of the opposite sign to those in the original Hamiltonian. Therefore, the ferromagnetic spin ice is frustrated, and does not order. Antiferromagnetic spin ice (in both 2 and 3 dimensions), is found to undergo a transition to a long range ordered state. The thermal and magnetic critical exponents for this transition are calculated. It is found that the thermal exponent is that of the Ising universality class, whereas the magnetic critical exponent is different, as expected from the fact that the Zeeman term has a different symmetry in these systems. In addition, the recently introduced Generalized Constant Coupling method is also applied to the calculation of the critical points and ground state configurations. Again, a very good agreement is found with both exact, Monte Carlo, and renormalization group calculations for the critical points. Incidentally, we show that the generalized constant coupling approach can be regarded as the lowest order limit of the EFRG technique, in which correlations outside a frustrated unit are neglected, and scaling is substituted by strict equality of the thermodynamic quantities.Comment: 28 pages, 9 figures, RevTeX 4 Some minor changes in the conclussions. One reference adde

Si nanoparticle interfaces in Si/SiO2 solar cell materials

Novel solar cell materials consisting of Si nanoparticles embedded in SiO2 layers have been studied using positron annihilation spectroscopy in Doppler broadening mode and photoluminescence. Two positron-trapping interface states are observed after high temperature annealing at 1100 °C. One of the states is attributed to the (SiO2/Si bulk) interface and the other to the interface between the Si nanoparticles and SiO2. A small reduction in positron trapping into these states is observed after annealing the samples in N2 atmosphere with 5% H2. Enhanced photoluminescence is also observed from the samples following this annealing step.Peer reviewe