Flexible generalized varying coefficient regression models

This paper studies a very flexible model that can be used widely to analyze the relation between a response and multiple covariates. The model is nonparametric, yet renders easy interpretation for the effects of the covariates. The model accommodates both continuous and discrete random variables for the response and covariates. It is quite flexible to cover the generalized varying coefficient models and the generalized additive models as special cases. Under a weak condition we give a general theorem that the problem of estimating the multivariate mean function is equivalent to that of estimating its univariate component functions. We discuss implications of the theorem for sieve and penalized least squares estimators, and then investigate the outcomes in full details for a kernel-type estimator. The kernel estimator is given as a solution of a system of nonlinear integral equations. We provide an iterative algorithm to solve the system of equations and discuss the theoretical properties of the estimator and the algorithm. Finally, we give simulation results.Comment: Published in at http://dx.doi.org/10.1214/12-AOS1026 the Annals of Statistics (http://www.imstat.org/aos/) by the Institute of Mathematical Statistics (http://www.imstat.org

Dipole-Allowed Direct Band Gap Silicon Superlattices

Silicon is the most popular material used in electronic devices. However, its poor optical properties owing to its indirect band gap nature limit its usage in optoelectronic devices. Here we present the discovery of super-stable pure-silicon superlattice structures that can serve as promising materials for solar cell applications and can lead to the realization of pure Si-based optoelectronic devices. The structures are almost identical to that of bulk Si except that defective layers are intercalated in the diamond lattice. The superlattices exhibit dipole-allowed direct band gaps as well as indirect band gaps, providing ideal conditions for the investigation of a direct-to-indirect band gap transition. The transition can be understood in terms of a novel conduction band originating from defective layers, an overlap between the valence- and conduction-band edge states at the interface layers, and zone folding with quantum confinement effects on the conduction band of non-defective bulk-like Si. The fact that almost all structural portions of the superlattices originate from bulk Si warrants their stability and good lattice matching with bulk Si. Through first-principles molecular dynamics simulations, we confirmed their thermal stability and propose a possible method to synthesize the defective layer through wafer bonding

Tie-respecting bootstrap methods for estimating distributions of sets and functions of eigenvalues

Bootstrap methods are widely used for distribution estimation, although in some problems they are applicable only with difficulty. A case in point is that of estimating the distributions of eigenvalue estimators, or of functions of those estimators, when one or more of the true eigenvalues are tied. The $m$-out-of-$n$ bootstrap can be used to deal with problems of this general type, but it is very sensitive to the choice of $m$. In this paper we propose a new approach, where a tie diagnostic is used to determine the locations of ties, and parameter estimates are adjusted accordingly. Our tie diagnostic is governed by a probability level, $\beta$, which in principle is an analogue of $m$ in the $m$-out-of-$n$ bootstrap. However, the tie-respecting bootstrap (TRB) is remarkably robust against the choice of $\beta$. This makes the TRB significantly more attractive than the $m$-out-of-$n$ bootstrap, where the value of $m$ has substantial influence on the final result. The TRB can be used very generally; for example, to test hypotheses about, or construct confidence regions for, the proportion of variability explained by a set of principal components. It is suitable for both finite-dimensional data and functional data.Comment: Published in at http://dx.doi.org/10.3150/08-BEJ154 the Bernoulli (http://isi.cbs.nl/bernoulli/) by the International Statistical Institute/Bernoulli Society (http://isi.cbs.nl/BS/bshome.htm

Single spin- and chiral-glass transition in vector spin glasses in three-dimensions

Results of Monte Carlo simulations of XY and Heisenberg spin glass models in three dimensions are presented. A finite size scaling analysis of the correlation length of the spins and chiralities of both models shows that there is a single, finite-temperature transition at which both spins and chiralities order.Comment: 5 pages, 5 figures. Replaced by published versio

Structural and Correlation Effects in the Itinerant Insulating Antiferromagnetic Perovskite NaOsO3

The orthorhombic perovskite NaOsO3 undergoes a continuous metal-insulator transition (MIT), accompanied by antiferromagnetic (AFM) order at T_N=410 K, suggested to be an example of the rare Slater (itinerant) MIT. We study this system using ab initio and related methods, focusing on the origin and nature of magnetic ordering and the MIT. The rotation and tilting of OsO6 octahedra in the GdFeO3 structure result in moderate narrowing the band width of the t_{2g} manifold, but sufficient to induce flattening of bands and AFM order within the local spin density approximation (LSDA), where it remains metallic but with a deep pseudogap. Including on-site Coulomb repulsion U, at U_c ~2 eV a MIT occurs only in the AFM state. Effects of spin-orbit coupling (SOC) on the band structure seem minor as expected for a half-filled $t_{2g}^{3}$ shell, but SOC doubles the critical value U_c necessary to open a gap and also leads to large magnetocrystalline energy differences in spite of normal orbital moments no greater than 0.1$\mu_B$. Our results are consistent with a Slater MIT driven by magnetic order, induced by a combination of structurally-induced band narrowing and moderate Coulomb repulsion, with SOC necessary for a full picture. Strong p-d hybridization reduces the moment, and when bootstrapped by the reduced Hund's rule coupling (proportional to the moment) gives a calculated moment of ~1 $\mu_B$, consistent with the observed moment and only a third of the formal $d^3$ value. We raise and discuss one important question: since this AFM ordering is at q=0 (in the 20 atom cell) where nesting is a moot issue, what is the microscopic driving force for ordering and the accompanying MIT?Comment: 9 page

Propagating waves in an extremal black string

We investigate the black string in the context of the string theories. It is shown that the graviton is the only propagating mode in the (2+1)--dimensional extremal black string background. Both the dilation and axion turn out to be non-propagating modes.Comment: Minor corrections, 11 pages in ReVTeX, no figure