Potts-Percolation-Gauss Model of a Solid

We study a statistical mechanics model of a solid. Neighboring atoms are connected by Hookian springs. If the energy is larger than a threshold the "spring" is more likely to fail, while if the energy is lower than the threshold the spring is more likely to be alive. The phase diagram and thermodynamic quantities, such as free energy, numbers of bonds and clusters, and their fluctuations, are determined using renormalization-group and Monte-Carlo techniques.Comment: 10 pages, 12 figure

Zero temperature phases of the frustrated J1-J2 antiferromagnetic spin-1/2 Heisenberg model on a simple cubic lattice

At zero temperature magnetic phases of the quantum spin-1/2 Heisenberg antiferromagnet on a simple cubic lattice with competing first and second neighbor exchanges (J1 and J2) is investigated using the non-linear spin wave theory. We find existence of two phases: a two sublattice Neel phase for small J2 (AF), and a collinear antiferromagnetic phase at large J2 (CAF). We obtain the sublattice magnetizations and ground state energies for the two phases and find that there exists a first order phase transition from the AF-phase to the CAF-phase at the critical transition point, pc = 0.28. Our results for the value of pc are in excellent agreement with results from Monte-Carlo simulations and variational spin wave theory. We also show that the quartic 1/S corrections due spin-wave interactions enhance the sublattice magnetization in both the phases which causes the intermediate paramagnetic phase predicted from linear spin wave theory to disappear.Comment: 19 pages, 4 figures, Fig. 1b modified, Appendix B text modifie

The Coupled Electronic-Ionic Monte Carlo Simulation Method

Quantum Monte Carlo (QMC) methods such as Variational Monte Carlo, Diffusion Monte Carlo or Path Integral Monte Carlo are the most accurate and general methods for computing total electronic energies. We will review methods we have developed to perform QMC for the electrons coupled to a classical Monte Carlo simulation of the ions. In this method, one estimates the Born-Oppenheimer energy E(Z) where Z represents the ionic degrees of freedom. That estimate of the energy is used in a Metropolis simulation of the ionic degrees of freedom. Important aspects of this method are how to deal with the noise, which QMC method and which trial function to use, how to deal with generalized boundary conditions on the wave function so as to reduce the finite size effects. We discuss some advantages of the CEIMC method concerning how the quantum effects of the ionic degrees of freedom can be included and how the boundary conditions can be integrated over. Using these methods, we have performed simulations of liquid H2 and metallic H on a parallel computer.Comment: 27 pages, 10 figure

Exact evidence for the spontaneous antiferromagnetic long-range order in the two-dimensional hybrid model of localized Ising spins and itinerant electrons

The generalized decoration-iteration transformation is adopted to treat exactly a hybrid model of doubly decorated two-dimensional lattices, which have localized Ising spins at their nodal lattice sites and itinerant electrons delocalized over pairs of decorating sites. Under the assumption of a half filling of each couple of the decorating sites, the investigated model system exhibits a remarkable spontaneous antiferromagnetic long-range order with an obvious quantum reduction of the staggered magnetization. It is shown that the critical temperature of the spontaneously long-range ordered quantum antiferromagnet displays an outstanding non-monotonic dependence on a ratio between the kinetic term and the Ising-type exchange interaction.Comment: 8 pages, 6 figure

Classical heisenberg antiferromagnet away from the pyrochlore lattice limit: entropic versus energetic selection

The stability of the disordered ground state of the classical Heisenberg pyrochlore antiferromagnet is studied within extensive Monte Carlo simulations by introducing an additional exchange interaction $J'$ that interpolates between the pyrochlore lattice ($J'=0$) and the face-centered cubic lattice ($J'=J$). It is found that for $J'/J$ as low as $J'/J\ge 0.01$, the system is long range ordered : the disordered ground state of the pyrochlore antiferromagnet is unstable when introducing very small deviations from the pure $J'=0$ limit. Furthermore, it is found that the selected phase is a collinear state energetically greater than the incommensurate phase suggested by a mean field analysis. To our knowledge this is the first example where entropic selection prevails over the energetic one.Comment: 5 (two-column revtex4) pages, 1 table, 7 ps/eps figures. Submitted to Phys. Rev.

^{17}O and ^{51}V NMR for the zigzag spin-1 chain compound CaV2O4

$^{51}$V NMR studies on CaV2O4 single crystals and $^{17}$O NMR studies on $^{17}$O-enriched powder samples are reported. The temperature dependences of the $^{17}$O NMR line width and nuclear spin-lattice relaxation rate give strong evidence for a long-range antiferromagnetic transition at Tn = 78 K in the powder. Magnetic susceptibility measurements show that Tn = 69 K in the crystals. A zero-field $^{51}$V NMR signal was observed at low temperatures (f $\approx$ 237 MHz at 4.2 K) in the crystals. The field swept spectra with the field in different directions suggest the presence of two antiferromagnetic substructures. Each substructure is collinear, with the easy axes of the two substructures separated by an angle of 19(1) degree, and with their average direction pointing approximately along the b-axis of the crystal structure. The two spin substructures contain equal number of spins. The temperature dependence of the ordered moment, measured up to 45 K, shows the presence of an energy gap Eg in the antiferromagnetic spin wave excitation spectrum. Antiferromagnetic spin wave theory suggests that Eg lies between 64 and 98 K.Comment: 11 pages, 14 figures. v2: 2 new figures; version published in Phys. Rev.

Spin-1/2 Ising-Heisenberg model with the pair XYZ Heisenberg interaction and quartic Ising interactions as the exactly soluble zero-field eight-vertex model

The spin-1/2 Ising-Heisenberg model with the pair XYZ Heisenberg interaction and quartic Ising interactions is exactly solved by establishing a precise mapping relationship with the corresponding zero-field (symmetric) eight-vertex model. It is shown that the Ising-Heisenberg model with the ferromagnetic Heisenberg interaction exhibits a striking critical behavior, which manifests itself through re-entrant phase transitions as well as continuously varying critical exponents. The changes of critical exponents are in accordance with the weak universality hypothesis in spite of a peculiar singular behavior to emerge at a quantum critical point of the infinite order, which occurs at the isotropic limit of the Heisenberg interaction. On the other hand, the Ising-Heisenberg model with the antiferromagnetic Heisenberg interaction surprisingly exhibits less significant changes of both critical temperatures as well as critical exponents upon varying a strength of the exchange anisotropy in the Heisenberg interaction.Comment: 11 pages, 9 figure

Properties of the chiral spin liquid state in generalized spin ladders

We study zero temperature properties of a system of two coupled quantum spin chains subject to fields explicitly breaking time reversal symmetry and parity. Suitable choice of the strength of these fields gives a model soluble by Bethe Ansatz methods which allows to determine the complete magnetic phase diagram of the system and the asymptotics of correlation functions from the finite size spectrum. The chiral properties of the system for both the integrable and the nonintegrable case are studied using numerical techniques.Comment: 19 pages, 9eps figures, Late

Contribution of Panton-Valentine Leukocidin in Community-Associated Methicillin-Resistant Staphylococcus aureus Pathogenesis

Community-associated methicillin-resistant Staphylococcus aureus (CA-MRSA) strains typically carry genes encoding Panton-Valentine leukocidin (PVL). We used wild-type parental and isogenic PVL-deletion (Δpvl) strains of USA300 (LAC and SF8300) and USA400 (MW2) to test whether PVL alters global gene regulatory networks and contributes to pathogenesis of bacteremia, a hallmark feature of invasive staphylococcal disease. Microarray and proteomic analyses revealed that PVL does not alter gene or protein expression, thereby demonstrating that any contribution of PVL to CA-MRSA pathogenesis is not mediated through interference of global gene regulatory networks. Inasmuch as a direct role for PVL in CA-MRSA pathogenesis remains to be determined, we developed a rabbit bacteremia model of CA-MRSA infection to evaluate the effects of PVL. Following experimental infection of rabbits, an animal species whose granulocytes are more sensitive to the effects of PVL compared with the mouse, we found a contribution of PVL to pathogenesis over the time course of bacteremia. At 24 and 48 hours post infection, PVL appears to play a modest, but measurable role in pathogenesis during the early stages of bacteremic seeding of the kidney, the target organ from which bacteria were not cleared. However, the early survival advantage of this USA300 strain conferred by PVL was lost by 72 hours post infection. These data are consistent with the clinical presentation of rapid-onset, fulminant infection that has been associated with PVL-positive CA-MRSA strains. Taken together, our data indicate a modest and transient positive effect of PVL in the acute phase of bacteremia, thereby providing evidence that PVL contributes to CA-MRSA pathogenesis

Non-monotonic zero point entropy in diluted spin ice

Water ice and spin ice are important model systems in which theory can directly account for zero point entropy associated with quenched configurational disorder. Spin ice differs from water ice in the important respect that its fundamental constituents, the spins of the magnetic ions, can be removed through replacement with non-magnetic ions while keeping the lattice structure intact. In order to investigate the interplay of frustrated interactions and quenched disorder, we have performed systematic heat capacity measurements on spin ice materials which have been thus diluted up to 90%. Investigations of both Ho and Dy spin ices reveal that the zero point entropy depends non-monotonically on dilution and approaches the value of Rln2 in the limit of high dilution. The data are in good agreement with a generalization of Pauling's theory for the entropy of ice.Comment: Accepted to be published in Phys. Rev. Let