Photoelasticity of sodium silicate glass from first principles

Based on density-functional perturbation theory we have computed the photoelastic tensor of a model of sodium silicate glass of composition (Na$_2$O)$_{0.25}$(SiO$_2$)$_{0.75}$ (NS3). The model (containig 84 atoms) is obtained by quenching from the melt in combined classical and Car-Parrinello molecular dynamics simulations. The calculated photoelastic coefficients are in good agreement with experimental data. In particular, the calculation reproduces quantitatively the decrease of the photoelastic response induced by the insertion of Na, as measured experimentally. The extension to NS3 of a phenomenological model developed in a previous work for pure a-SiO$_2$ indicates that the modulation upon strain of other structural parameters besides the SiOSi angles must be invoked to explain the change in the photoelstic response induced by Na

Basis-independent methods for the two-Higgs-doublet model II. The significance of tan(beta)

In the most general two-Higgs-doublet model (2HDM), there is no distinction between the two complex hypercharge-one SU(2) doublet scalar fields, Phi_a (a=1,2). Thus, any two orthonormal linear combinations of these two fields can serve as a basis for the Lagrangian. All physical observables of the model must therefore be basis-independent. For example, tan(beta)=/ is basis-dependent and thus cannot be a physical parameter of the model. In this paper, we provide a basis-independent treatment of the Higgs sector with particular attention to the neutral Higgs boson mass-eigenstates, which generically are not eigenstates of CP. We then demonstrate that all physical Higgs couplings are indeed independent of tan(beta). In specialized versions of the 2HDM, tan(beta) can be promoted to a physical parameter of the Higgs-fermion interactions. In the most general 2HDM, the Higgs-fermion couplings can be expressed in terms of a number of physical "tan(beta)--like" parameters that are manifestly basis-independent. The minimal supersymmetric extension of the Standard Model provides a simple framework for exhibiting such effects.Comment: 56 pages, 5 tables, with Eq. (65) corrected (erratum to appear in Physical Review D

Eutactic quantum codes

We consider sets of quantum observables corresponding to eutactic stars. Eutactic stars are systems of vectors which are the lower dimensional ``shadow'' image, the orthogonal view, of higher dimensional orthonormal bases. Although these vector systems are not comeasurable, they represent redundant coordinate bases with remarkable properties. One application is quantum secret sharing.Comment: 6 page

Crystal structure of LaTiO_3.41 under pressure

The crystal structure of the layered, perovskite-related LaTiO_3.41 (La_5Ti_5O_{17+\delta}) has been studied by synchrotron powder x-ray diffraction under hydrostatic pressure up to 27 GPa (T = 295 K). The ambient-pressure phase was found to remain stable up to 18 GPa. A sluggish, but reversible phase transition occurs in the range 18--24 GPa. The structural changes of the low-pressure phase are characterized by a pronounced anisotropy in the axis compressibilities, which are at a ratio of approximately 1:2:3 for the a, b, and c axes. Possible effects of pressure on the electronic properties of LaTiO_3.41 are discussed.Comment: 5 pages, 6 figure

Wigner's DD-matrix elements for SU(3)SU(3) - A Generating Function Approach

A generating function for the Wigner's $D$-matrix elements of $SU(3)$ is derived. From this an explicit expression for the individual matrix elements is obtained in a closed form.Comment: RevTex 3.0, 22 pages, no figure

Vector coherent state representations, induced representations, and geometric quantization: II. Vector coherent state representations

It is shown here and in the preceeding paper (quant-ph/0201129) that vector coherent state theory, the theory of induced representations, and geometric quantization provide alternative but equivalent quantizations of an algebraic model. The relationships are useful because some constructions are simpler and more natural from one perspective than another. More importantly, each approach suggests ways of generalizing its counterparts. In this paper, we focus on the construction of quantum models for algebraic systems with intrinsic degrees of freedom. Semi-classical partial quantizations, for which only the intrinsic degrees of freedom are quantized, arise naturally out of this construction. The quantization of the SU(3) and rigid rotor models are considered as examples.Comment: 31 pages, part 2 of two papers, published versio

Ab initio pseudopotential study of Fe, Co, and Ni employing the spin-polarized LAPW approach

The ground-state properties of Fe, Co, and Ni are studied with the linear-augmented-plane-wave (LAPW) method and norm-conserving pseudopotentials. The calculated lattice constant, bulk modulus, and magnetic moment with both the local-spin-density approximation (LSDA) and the generalized gradient approximation (GGA) are in good agreement with those of all-electron calculations, respectively. The GGA results show a substantial improvement over the LSDA results, i.e., better agreement with experiment. The accurate treatment of the nonlinear core-valence exchange and correlation interaction is found to be essential for the determination of the magnetic properties of 3d transition metals. The present study demonstrates the successful application of the LAPW pseudopotential approach to the calculation of ground-state properties of magnetic 3d transition metals.Comment: RevTeX, 14 pages, 2 figures in uufiles for