Unraveling the acoustic electron-phonon interaction in graphene

Using a first-principles approach we calculate the acoustic electron-phonon couplings in graphene for the transverse (TA) and longitudinal (LA) acoustic phonons. Analytic forms of the coupling matrix elements valid in the long-wavelength limit are found to give an almost quantitative description of the first-principles based matrix elements even at shorter wavelengths. Using the analytic forms of the coupling matrix elements, we study the acoustic phonon-limited carrier mobility for temperatures 0-200 K and high carrier densities of 10^{12}-10^{13} cm^{-2}. We find that the intrinsic effective acoustic deformation potential of graphene is \Xi_eff = 6.8 eV and that the temperature dependence of the mobility \mu ~ T^{-\alpha} increases beyond an \alpha = 4 dependence even in the absence of screening when the full coupling matrix elements are considered. The large disagreement between our calculated deformation potential and those extracted from experimental measurements (18-29 eV) indicates that additional or modified acoustic phonon-scattering mechanisms are at play in experimental situations.Comment: 7 pages, 3 figure

Simulations of energetic beam deposition: from picoseconds to seconds

We present a new method for simulating crystal growth by energetic beam deposition. The method combines a Kinetic Monte-Carlo simulation for the thermal surface diffusion with a small scale molecular dynamics simulation of every single deposition event. We have implemented the method using the effective medium theory as a model potential for the atomic interactions, and present simulations for Ag/Ag(111) and Pt/Pt(111) for incoming energies up to 35 eV. The method is capable of following the growth of several monolayers at realistic growth rates of 1 monolayer per second, correctly accounting for both energy-induced atomic mobility and thermal surface diffusion. We find that the energy influences island and step densities and can induce layer-by-layer growth. We find an optimal energy for layer-by-layer growth (25 eV for Ag), which correlates with where the net impact-induced downward interlayer transport is at a maximum. A high step density is needed for energy induced layer-by-layer growth, hence the effect dies away at increased temperatures, where thermal surface diffusion reduces the step density. As part of the development of the method, we present molecular dynamics simulations of single atom-surface collisions on flat parts of the surface and near straight steps, we identify microscopic mechanisms by which the energy influences the growth, and we discuss the nature of the energy-induced atomic mobility

Chiral surfaces self-assembling in one-component systems with isotropic interactions

We show that chiral symmetry can be broken spontaneously in one-component systems with isotropic interactions, i.e. many-particle systems having maximal a priori symmetry. This is achieved by designing isotropic potentials that lead to self-assembly of chiral surfaces. We demonstrate the principle on a simple chiral lattice and on a more complex lattice with chiral super-cells. In addition we show that the complex lattice has interesting melting behavior with multiple morphologically distinct phases that we argue can be qualitatively predicted from the design of the interaction.Comment: 4 pages, 4 figure

Can a Home-based Cardiac Physical Activity Program Improve the Physical Function Quality of Life in Children with Fontan Circulation?

Objective Patients after Fontan operation for complex congenital heart disease (CHD) have decreased exercise capacity and report reduced health-related quality of life (HRQOL). Studies suggest hospital-based cardiac physical activity programs can improve HRQOL and exercise capacity in patients with CHD; however, these programs have variable adherence rates. The impact of a home-based cardiac physical activity program in Fontan survivors is unclear. This pilot study evaluated the safety, feasibility, and benefits of an innovative home-based physical activity program on HRQOL in Fontan patients. Methods A total of 14 children, 8–12 years, with Fontan circulation enrolled in a 12-week moderate/high intensity home-based cardiac physical activity program, which included a home exercise routine and 3 formalized in-person exercise sessions at 0, 6, and 12 weeks. Subjects and parents completed validated questionnaires to assess HRQOL. The Shuttle Test Run was used to measure exercise capacity. A Fitbit Flex Activity Monitor was used to assess adherence to the home activity program. Results Of the 14 patients, 57% were male and 36% had a dominant left ventricle. Overall, 93% completed the program. There were no adverse events. Parents reported significant improvement in their child\u27s overall HRQOL (P \u3c .01), physical function (P \u3c .01), school function (P = .01), and psychosocial function (P  \u3c .01). Patients reported no improvement in HRQOL. Exercise capacity, measured by total shuttles and exercise time in the Shuttle Test Run and calculated VO2max, improved progressively from baseline to the 6 and 12 week follow up sessions. Monthly Fitbit data suggested adherence to the program. Conclusion This 12-week home-based cardiac physical activity program is safe and feasible in preteen Fontan patients. Parent proxy-reported HRQOL and objective measures of exercise capacity significantly improved. A 6-month follow up session is scheduled to assess sustainability. A larger study is needed to determine the applicability and reproducibility of these findings in other age groups and forms of complex CHD

A tree-decomposed transfer matrix for computing exact Potts model partition functions for arbitrary graphs, with applications to planar graph colourings

Combining tree decomposition and transfer matrix techniques provides a very general algorithm for computing exact partition functions of statistical models defined on arbitrary graphs. The algorithm is particularly efficient in the case of planar graphs. We illustrate it by computing the Potts model partition functions and chromatic polynomials (the number of proper vertex colourings using Q colours) for large samples of random planar graphs with up to N=100 vertices. In the latter case, our algorithm yields a sub-exponential average running time of ~ exp(1.516 sqrt(N)), a substantial improvement over the exponential running time ~ exp(0.245 N) provided by the hitherto best known algorithm. We study the statistics of chromatic roots of random planar graphs in some detail, comparing the findings with results for finite pieces of a regular lattice.Comment: 5 pages, 3 figures. Version 2 has been substantially expanded. Version 3 shows that the worst-case running time is sub-exponential in the number of vertice

Exact enumeration of Hamiltonian circuits, walks, and chains in two and three dimensions

We present an algorithm for enumerating exactly the number of Hamiltonian chains on regular lattices in low dimensions. By definition, these are sets of k disjoint paths whose union visits each lattice vertex exactly once. The well-known Hamiltonian circuits and walks appear as the special cases k=0 and k=1 respectively. In two dimensions, we enumerate chains on L x L square lattices up to L=12, walks up to L=17, and circuits up to L=20. Some results for three dimensions are also given. Using our data we extract several quantities of physical interest

Dense loops, supersymmetry, and Goldstone phases in two dimensions

Loop models in two dimensions can be related to O(N) models. The low-temperature dense-loops phase of such a model, or of its reformulation using a supergroup as symmetry, can have a Goldstone broken-symmetry phase for N<2. We argue that this phase is generic for -2< N <2 when crossings of loops are allowed, and distinct from the model of non-crossing dense loops first studied by Nienhuis [Phys. Rev. Lett. 49, 1062 (1982)]. Our arguments are supported by our numerical results, and by a lattice model solved exactly by Martins et al. [Phys. Rev. Lett. 81, 504 (1998)].Comment: RevTeX, 5 pages, 3 postscript figure

Neutron scattering study of spin ordering and stripe pinning in superconducting La1.93_{1.93}Sr0.07_{0.07}CuO4_4

The relationships among charge order, spin fluctuations, and superconductivity in underdoped cuprates remain controversial. We use neutron scattering techniques to study these phenomena in La$_{1.93}$Sr$_{0.07}$CuO$_4$, a superconductor with a transition temperature of $T_c = 20$~K. At $T\ll T_c$, we find incommensurate spin fluctuations with a quasielastic energy spectrum and no sign of a gap within the energy range from 0.2 to 15 meV. A weak elastic magnetic component grows below $\sim10$~K, consistent with results from local probes. Regarding the atomic lattice, we have discovered unexpectedly strong fluctuations of the CuO$_6$ octahedra about Cu-O bonds, which are associated with inequivalent O sites within the CuO$_2$ planes. Furthermore, we observed a weak elastic $(3\bar{3}0)$ superlattice peak that implies a reduced lattice symmetry. The presence of inequivalent O sites rationalizes various pieces of evidence for charge stripe order in underdoped \lsco. The coexistence of superconductivity with quasi-static spin-stripe order suggests the presence of intertwined orders; however, the rotation of the stripe orientation away from the Cu-O bonds might be connected with evidence for a finite gap at the nodal points of the superconducting gap function.Comment: 13 pages, 11 figures; accepted versio

Finite average lengths in critical loop models

A relation between the average length of loops and their free energy is obtained for a variety of O(n)-type models on two-dimensional lattices, by extending to finite temperatures a calculation due to Kast. We show that the (number) averaged loop length L stays finite for all non-zero fugacities n, and in particular it does not diverge upon entering the critical regime n -> 2+. Fully packed loop (FPL) models with n=2 seem to obey the simple relation L = 3 L_min, where L_min is the smallest loop length allowed by the underlying lattice. We demonstrate this analytically for the FPL model on the honeycomb lattice and for the 4-state Potts model on the square lattice, and based on numerical estimates obtained from a transfer matrix method we conjecture that this is also true for the two-flavour FPL model on the square lattice. We present in addition numerical results for the average loop length on the three critical branches (compact, dense and dilute) of the O(n) model on the honeycomb lattice, and discuss the limit n -> 0. Contact is made with the predictions for the distribution of loop lengths obtained by conformal invariance methods.Comment: 20 pages of LaTeX including 3 figure

Inelastic Scattering in Metal-H2-Metal Junctions

We present first-principles calculations of the dI/dV characteristics of an H2 molecule sandwiched between Au and Pt electrodes in the presence of electron-phonon interactions. The conductance is found to decrease by a few percentage at threshold voltages corresponding to the excitation energy of longitudinal vibrations of the H2 molecule. In the case of Pt electrodes, the transverse vibrations can mediate transport through otherwise non-transmitting Pt $d$-channels leading to an increase in the differential conductance even though the hydrogen junction is characterized predominately by a single almost fully open transport channel. In the case of Au, the transverse modes do not affect the dI/dV because the Au d-states are too far below the Fermi level. A simple explanation of the first-principles results is given using scattering theory. Finally, we compare and discuss our results in relation to experimental data.Comment: Accepted in Phys. Rev.