Quantum Monte Carlo study of a magnetic-field-driven 2D superconductor-insulator transition

We numerically study the superconductor-insulator phase transition in a model disordered 2D superconductor as a function of applied magnetic field. The calculation involves quantum Monte Carlo calculations of the (2+1)D XY model in the presence of both disorder and magnetic field. The XY coupling is assumed to have the form -J\cos(\theta_i-\theta_j-A_{ij}), where A_{ij} has a mean of zero and a standard deviation \Delta A_{ij}. In a real system, such a model would be approximately realized by a 2D array of small Josephson-coupled grains with slight spatial disorder and a uniform applied magnetic field. The different values \Delta A_{ij} then corresponds to an applied field such that the average number of flux quanta per plaquette has various integer values N: larger N corresponds to larger \Delta A_{ij}. For any value of \Delta A_{ij}, there appears to be a critical coupling constant K_c(\Delta A_{ij})=\sqrt{[J/(2U)]_c}, where U is the charging energy, above which the system is a Mott insulator; there is also a corresponding critical conductivity \sigma^*(\Delta A_{ij}) at the transition. For \Delta A_{ij}=\infty, the order parameter of the transition is a renormalized coupling constant g. Using a numerical technique appropriate for disordered systems, we show that the transition at this value of \Delta A_{ij} takes place from an insulating (I) phase to a Bose glass (BG) phase, and that the dynamical critical exponent characterizing this transition is z \sim 1.3. By contrast, z=1 for this model at \Delta A_{ij}=0. We suggest that the superconductor to insulator transition is actually of this I to BG class at all nonzero \Delta A_{ij}'s, and we support this interpretation by both numerical evidence and an analytical argument based on the Harris criterion.Comment: 17 pages, 23 figures, accepted for publication in Phys. Rev.

Two phase transitions in the fully frustrated XYXY model

The fully frustrated $XY$ model on a square lattice is studied by means of Monte Carlo simulations. A Kosterlitz-Thouless transition is found at $T_{\rm KT} \approx 0.446$, followed by an ordinary Ising transition at a slightly higher temperature, $T_c \approx 0.452$. The non-Ising exponents reported by others, are explained as a failure of finite size scaling due to the screening length associated with the nearby Kosterlitz-Thouless transition.Comment: REVTEX file, 8 pages, 5 figures in uuencoded postscrip

Single-Particle Density of States of a Superconductor with a Spatially Varying Gap and Phase Fluctuations

Recent experiments have shown that the superconducting energy gap in some cuprates is spatially inhomogeneous. Motivated by these experiments, and using exact diagonalization of a model d-wave Hamiltonian, combined with Monte Carlo simulations of a Ginzburg-Landau free energy functional, we have calculated the single-particle density of states LDOS$(\omega,r)$ of a model high-T$_c$ superconductor as a function of temperature. Our calculations include both quenched disorder in the pairing potential and thermal fluctuations in both phase and amplitude of the superconducting gap. Most of our calculations assume two types of superconducting regions: $\alpha$, with a small gap and large superfluid density, and $\beta$, with the opposite. If the $\beta$ regions are randomly embedded in an $\alpha$ host, the LDOS on the $\alpha$ sites still has a sharp coherence peak at $T = 0$, but the $\beta$ component does not, in agreement with experiment. An ordered arrangement of $\beta$ regions leads to oscillations in the LDOS as a function of energy. The model leads to a superconducting transition temperature $T_c$ well below the pseudogap temperature $T_{c0}$, and has a spatially varying gap at very low $T$, both consistent with experiments in underdoped Bi2212. Our calculated LDOS$(\omega,r)$ shows coherence peaks for $T T_c$, in agreement with previous work considering phase but not amplitude fluctuations in a homogeneous superconductor. Well above $T_c$, the gap in the LDOS disappears.Comment: 37 pages, 12 figures. Accepted by Phys. Rev. B. Scheduled Issue: 01 Nov 200

Phase transition in ultrathin magnetic films with long-range interactions: Monte Carlo simulation of the anisotropic Heisenberg model

Ultrathin magnetic films can be modeled as an anisotropic Heisenberg model with long-range dipolar interactions. It is believed that the phase diagram presents three phases: An ordered ferromagnetic phase I, a phase characterized by a change from out-of-plane to in-plane in the magnetization II, and a high-temperature paramagnetic phase III. It is claimed that the border lines from phase I to III and II to III are of second order and from I to II is first order. In the present work we have performed a very careful Monte Carlo simulation of the model. Our results strongly support that the line separating phases II and III is of the BKT type.Comment: 7 page

Time-dependent embedding

A method of solving the time-dependent Schr\"odinger equation is presented, in which a finite region of space is treated explicitly, with the boundary conditions for matching the wave-functions on to the rest of the system replaced by an embedding term added on to the Hamiltonian. This time-dependent embedding term is derived from the Fourier transform of the energy-dependent embedding potential, which embeds the time-independent Schr\"odinger equation. Results are presented for a one-dimensional model of an atom in a time-varying electric field, the surface excitation of this model atom at a jellium surface in an external electric field, and the surface excitation of a bulk state.Comment: 31 pages, 13 figure

Conformal Anomaly and Critical Exponents of the XY-Ising Model

We use extensive Monte Carlo transfer matrix calculations on infinite strips of widths $L$ up to 30 lattice spacing and a finite-size scaling analysis to obtain critical exponents and conformal anomaly number $c$ for the two-dimensional $XY$-Ising model. This model is expected to describe the critical behavior of a class of systems with simultaneous $U(1)$ and $Z_2$ symmetries of which the fully frustrated $XY$ model is a special case. The effective values obtained for $c$ show a significant decrease with $L$ at different points along the line where the transition to the ordered phase takes place in a single transition. Extrapolations based on power-law corrections give values consistent with $c=3/2$ although larger values can not be ruled out. Critical exponents are obtained more accurately and are consistent with previous Monte Carlo simulations suggesting new critical behavior and with recent calculations for the frustrated $XY$ model.Comment: 33 pages, 13 latex figures, uses RevTeX 3.

Towards Better Integrators for Dissipative Particle Dynamics Simulations

Coarse-grained models that preserve hydrodynamics provide a natural approach to study collective properties of soft-matter systems. Here, we demonstrate that commonly used integration schemes in dissipative particle dynamics give rise to pronounced artifacts in physical quantities such as the compressibility and the diffusion coefficient. We assess the quality of these integration schemes, including variants based on a recently suggested self-consistent approach, and examine their relative performance. Implications of integrator-induced effects are discussed.Comment: 4 pages, 3 figures, 2 tables, accepted for publication in Phys. Rev. E (Rapid Communication), tentative publication issue: 01 Dec 200

Vibrational Excitations in Weakly Coupled Single-Molecule Junctions: A Computational Analysis

In bulk systems, molecules are routinely identified by their vibrational spectrum using Raman or infrared spectroscopy. In recent years, vibrational excitation lines have been observed in low-temperature conductance measurements on single molecule junctions and they can provide a similar means of identification. We present a method to efficiently calculate these excitation lines in weakly coupled, gateable single-molecule junctions, using a combination of ab initio density functional theory and rate equations. Our method takes transitions from excited to excited vibrational state into account by evaluating the Franck-Condon factors for an arbitrary number of vibrational quanta, and is therefore able to predict qualitatively different behaviour from calculations limited to transitions from ground state to excited vibrational state. We find that the vibrational spectrum is sensitive to the molecular contact geometry and the charge state, and that it is generally necessary to take more than one vibrational quantum into account. Quantitative comparison to previously reported measurements on pi-conjugated molecules reveals that our method is able to characterize the vibrational excitations and can be used to identify single molecules in a junction. The method is computationally feasible on commodity hardware.Comment: 9 pages, 7 figure

Roughening Induced Deconstruction in (100) Facets of CsCl Type Crystals

The staggered 6-vertex model describes the competition between surface roughening and reconstruction in (100) facets of CsCl type crystals. Its phase diagram does not have the expected generic structure, due to the presence of a fully-packed loop-gas line. We prove that the reconstruction and roughening transitions cannot cross nor merge with this loop-gas line if these degrees of freedom interact weakly. However, our numerical finite size scaling analysis shows that the two critical lines merge along the loop-gas line, with strong coupling scaling properties. The central charge is much larger than 1.5 and roughening takes place at a surface roughness much larger than the conventional universal value. It seems that additional fluctuations become critical simultaneously.Comment: 31 pages, 9 figure

Vascular Function and Structure in Veteran Athletes after Myocardial Infarction.

PURPOSE: Although athletes demonstrate lower cardiovascular risk and superior vascular function compared with sedentary peers, they are not exempted from cardiac events (i.e., myocardial infarction [MI]). The presence of an MI is associated with increased cardiovascular risk and impaired vascular function. We tested the hypothesis that lifelong exercise training in post-MI athletes, similar as in healthy controls, is associated with a superior peripheral vascular function and structure compared with a sedentary lifestyle in post-MI individuals. METHODS: We included 18 veteran athletes (ATH) (>20 yr) and 18 sedentary controls (SED). To understand the effect of lifelong exercise training after MI, we included 20 veteran post-MI athletes (ATH + MI) and 19 sedentary post-MI controls (SED + MI). Participants underwent comprehensive assessment using vascular ultrasound (vascular stiffness, intima-media thickness, and endothelium (in)dependent mediated dilatation). Lifetime risk score was calculated for a 30-yr risk prediction of cardiovascular disease mortality of the participants. RESULTS: ATH demonstrated a lower vascular stiffness and smaller femoral intima-media thickness compared with SED. Vascular function and structure did not differ between ATH + MI and SED + MI. ATH (4.0% ± 5.1%) and ATH + MI (6.1% ± 3.7%) had a significantly better lifetime risk score compared with their sedentary peers (SED: 6.9% ± 3.7% and SED + MI: 9.3% ± 4.8%). ATH + MI had no secondary events versus two recurrent MI and six elective percutaneous coronary interventions within SED + MI (P < 0.05). CONCLUSION: Although veteran post-MI athletes did not have a superior peripheral vascular function and structure compared with their sedentary post-MI peers, benefits of lifelong exercise training in veteran post-MI athletes relate to a better cardiovascular risk profile and lower occurrence of secondary events