A functional combinatorial central limit theorem

The paper establishes a functional version of the Hoeffding combinatorial central limit theorem. First, a pre-limiting Gaussian process approximation is defined, and is shown to be at a distance of the order of the Lyapounov ratio from the original random process. Distance is measured by comparison of expectations of smooth functionals of the processes, and the argument is by way of Stein's method. The pre-limiting process is then shown, under weak conditions, to converge to a Gaussian limit process. The theorem is used to describe the shape of random permutation tableaux.Comment: 23 page

Fully Analyzing an Algebraic Polya Urn Model

This paper introduces and analyzes a particular class of Polya urns: balls are of two colors, can only be added (the urns are said to be additive) and at every step the same constant number of balls is added, thus only the color compositions varies (the urns are said to be balanced). These properties make this class of urns ideally suited for analysis from an "analytic combinatorics" point-of-view, following in the footsteps of Flajolet-Dumas-Puyhaubert, 2006. Through an algebraic generating function to which we apply a multiple coalescing saddle-point method, we are able to give precise asymptotic results for the probability distribution of the composition of the urn, as well as local limit law and large deviation bounds.Comment: LATIN 2012, Arequipa : Peru (2012

Large quantum fluctuations in the strongly coupled spin-1/2 chains of green dioptase: a hidden message from birds and trees

The green mineral dioptase Cu6Si6O18(H2O)6 has been known since centuries and plays an important role in esoteric doctrines. In particular, the green dioptase is supposed to grant the skill to speak with trees and to understand the language of birds. Armed with natural samples of dioptase, we were able to unravel the magnetic nature of the mineral (presumably with hidden support from birds and trees) and show that strong quantum fluctuations can be realized in an essentially framework-type spin lattice of coupled chains, thus neither frustration nor low-dimensionality are prerequisites. We present a microscopic magnetic model for the green dioptase. Based on full-potential DFT calculations, we find two relevant couplings in this system: an antiferromagnetic coupling J_c, forming spiral chains along the hexagonal c axis, and an inter-chain ferromagnetic coupling J_d within structural Cu2O6 dimers. To refine the J_c and J_d values and to confirm the proposed spin model, we perform quantum Monte-Carlo simulations for the dioptase spin lattice. The derived magnetic susceptibility, the magnetic ground state, and the sublattice magnetization are in remarkably good agreement with the experimental data. The refined model parameters are J_c = 78 K and J_d = -37 K with J_d/J_c ~ -0.5. Despite the apparent three-dimensional features of the spin lattice and the lack of frustration, strong quantum fluctuations in the system are evidenced by a broad maximum in the magnetic susceptibility, a reduced value of the Neel temperature T_N ~ 15 K >> J_c, and a low value of the sublattice magnetization m = 0.55 Bohr magneton. All these features should be ascribed to the low coordination number of 3 that outbalances the three-dimensional nature of the spin lattice.Comment: Dedicated to Stefan-Ludwig Drechsler on the occasion of his 60th birthday (9 pages, 6 figures

Seeded Graph Matching via Large Neighborhood Statistics

We study a well known noisy model of the graph isomorphism problem. In this model, the goal is to perfectly recover the vertex correspondence between two edge-correlated Erd\H{o}s-R\'{e}nyi random graphs, with an initial seed set of correctly matched vertex pairs revealed as side information. For seeded problems, our result provides a significant improvement over previously known results. We show that it is possible to achieve the information-theoretic limit of graph sparsity in time polynomial in the number of vertices $n$. Moreover, we show the number of seeds needed for exact recovery in polynomial-time can be as low as $n^{3\epsilon}$ in the sparse graph regime (with the average degree smaller than $n^{\epsilon}$) and $\Omega(\log n)$ in the dense graph regime. Our results also shed light on the unseeded problem. In particular, we give sub-exponential time algorithms for sparse models and an $n^{O(\log n)}$ algorithm for dense models for some parameters, including some that are not covered by recent results of Barak et al

Monotone graph limits and quasimonotone graphs

The recent theory of graph limits gives a powerful framework for understanding the properties of suitable (convergent) sequences $(G_n)$ of graphs in terms of a limiting object which may be represented by a symmetric function $W$ on $[0,1]$, i.e., a kernel or graphon. In this context it is natural to wish to relate specific properties of the sequence to specific properties of the kernel. Here we show that the kernel is monotone (i.e., increasing in both variables) if and only if the sequence satisfies a `quasi-monotonicity' property defined by a certain functional tending to zero. As a tool we prove an inequality relating the cut and $L^1$ norms of kernels of the form $W_1-W_2$ with $W_1$ and $W_2$ monotone that may be of interest in its own right; no such inequality holds for general kernels.Comment: 38 page

Square-lattice magnetism of diaboleite Pb2Cu(OH)4Cl2

We report on the quasi-two-dimensional magnetism of the natural mineral diaboleite Pb2Cu(OH)4Cl2 with a tetragonal crystal structure, which is closely related to that of the frustrated spin-1/2 magnet PbVO3. Magnetic susceptibility of diaboleite is well described by a Heisenberg spin model on a diluted square lattice with the nearest-neighbor exchange of J~35 K and about 5% of non-magnetic impurities. The dilution of the spin lattice reflects the formation of Cu vacancies that are tolerated by the crystal structure of diaboleite. The weak coupling between the magnetic planes triggers the long-range antiferromagnetic order below TN~11 K. No evidence of magnetic frustration is found. We also analyze the signatures of the long-range order in heat-capacity data, and discuss the capability of identifying magnetic transitions with heat-capacity measurements.Comment: 10 pages, 10 figures + Supplementary Informatio

Magnetism of CuX2 frustrated chains (X = F, Cl, Br): the role of covalency

Periodic and cluster density-functional theory (DFT) calculations, including DFT+U and hybrid functionals, are applied to study magnetostructural correlations in spin-1/2 frustrated chain compounds CuX2: CuCl2, CuBr2, and a fictitious chain structure of CuF2. The nearest-neighbor and second-neighbor exchange integrals, J1 and J2, are evaluated as a function of the Cu-X-Cu bridging angle, theta, in the physically relevant range 80-110deg. In the ionic CuF2, J1 is ferromagnetic for theta smaller 100deg. For larger angles, the antiferromagnetic superexchange contribution becomes dominant, in accord with the Goodenough-Kanamori-Anderson rules. However, both CuCl2 and CuBr2 feature ferromagnetic J1 in the whole angular range studied. This surprising behavior is ascribed to the increased covalency in the Cl and Br compounds, which amplifies the contribution from Hund's exchange on the ligand atoms and renders J1 ferromagnetic. At the same time, the larger spatial extent of X orbitals enhances the antiferromagnetic J2, which is realized via the long-range Cu-X-X-Cu paths. Both, periodic and cluster approaches supply a consistent description of the magnetic behavior which is in good agreement with the experimental data for CuCl2 and CuBr2. Thus, owing to their simplicity, cluster calculations have excellent potential to study magnetic correlations in more involved spin lattices and facilitate application of quantum-chemical methods

The spin gap in malachite Cu2(OH)2CO3 and its evolution under pressure

We report on the microscopic magnetic modeling of the spin-1/2 copper mineral malachite at ambient and elevated pressures. Despite the layered crystal structure of this mineral, the ambient-pressure susceptibility and magnetization data can be well described by an unfrustrated quasi-one-dimensional magnetic model. Weakly interacting antiferromagnetic alternating spin chains are responsible for a large spin gap of 120K. Although the intradimer Cu-O-Cu bridging angles are considerably smaller than the interdimer angles, density functional theory (DFT) calculations revealed that the largest exchange coupling of 190K operates within the structural dimers. The lack of the inversion symmetry in the exchange pathways gives rise to sizable Dzyaloshinskii-Moriya interactions which were estimated by full-relativistic DFT+U calculations. Based on available high-pressure crystal structures, we investigate the exchange couplings under pressure and make predictions for the evolution of the spin gap. The calculations evidence that intradimer couplings are strongly pressure-dependent and their evolution underlies the decrease of the spin gap under pressure. Finally, we assess the accuracy of hydrogen positions determined by structural relaxation within DFT and put forward this computational method as a viable alternative to elaborate experiments

Terrestrial planets across space and time

The study of cosmology, galaxy formation and exoplanets has now advanced to a stage where a cosmic inventory of terrestrial planets may be attempted. By coupling semi-analytic models of galaxy formation to a recipe that relates the occurrence of planets to the mass and metallicity of their host stars, we trace the population of terrestrial planets around both solar-mass (FGK type) and lower-mass (M dwarf) stars throughout all of cosmic history. We find that the mean age of terrestrial planets in the local Universe is $7\pm{}1$ Gyr for FGK hosts and $8\pm{}1$ Gyr for M dwarfs. We estimate that hot Jupiters have depleted the population of terrestrial planets around FGK stars by no more than $\approx 10\%$, and that only $\approx 10\%$ of the terrestrial planets at the current epoch are orbiting stars in a metallicity range for which such planets have yet to be confirmed. The typical terrestrial planet in the local Universe is located in a spheroid-dominated galaxy with a total stellar mass comparable to that of the Milky Way. When looking at the inventory of planets throughout the whole observable Universe, we argue for a total of $\approx 1\times 10^{19}$ and $\approx 5\times 10^{20}$ terrestrial planets around FGK and M stars, respectively. Due to light travel time effects, the terrestrial planets on our past light cone exhibit a mean age of just $1.7\pm 0.2$ Gyr. These results are discussed in the context of cosmic habitability, the Copernican principle and searches for extraterrestrial intelligence at cosmological distances.Comment: 11 pages, 8 figures. v.2: Accepted for publication in ApJ. Some changes in quantitative results compared to v.1, mainly due to differences in IMF assumption