Theoretical explanation for Raman and ESR spectra of V3+ ions in salt guanidinium vanadium sulfate hexahydrate

The Raman spectra and electronic spin resonance (ESR) parameters (spin-Hamiltonian parameter g factors, zero-field splitting parameter D, and hyperfine structure constant A) for the trigonal V³⁺ centers in salt guanidinium vanadium sulfate hexahydrate (GVSH) are calculated from the complete diagonalization (of energy matrix) method. The theoretical results are in agreement with the experimental findings and the trigonal crystal-field parameters are determined. The difficulty in explaining ESR parameters of V³⁺ in GVSH is removed.     

Investigations of the optical spectra and EPR g-factors for the tetragonal Ce3+ centers in YPO4 and LuPO4 crystals

The optical spectral band positions and EPR g-factors (g_‖ , g _⊥) for the tetragonal Ce³⁺ centers in YPO₄ and LuPO₄ crystals with the zircon-structure are calculated using a complete diagonalization (of the energy matrix) method (CDM) related to 4f¹ ions in tetragonal symmetry. In this method, the Zeeman interaction term are added to the Hamiltonian in the conventional CDM and so no perturbation calculations are required to obtain the g factors. The crystal-field parameters used in the calculations are obtained from the superposition model in which the local lattice relaxation related to the bonding lengths is considered. The calculated results are in reasonable agreement with the experimental values. It is found that the four observed optical bands for both the systems can be attributed to Ce³⁺ ions in a tetragonal crystal field.     

Subcellular interactions between parallel fibre and climbing fibre signals in purkinje cells predict sensitivity of classical conditioning to interstimulus interval

Classical conditioning of the nictitating membrane response requires a specific temporal interval between conditioned stimulus and unconditioned stimulus, and produces an incrase in Protein Kinase C (PKC) activation in Purkinje cells. To evaluate whether biochemical interactions within the Purkinje cell may explain the temporal sensitivity, a model of PKC activation byCa ²⁺, diacylglycerol (DAG), and arachidonic acid (AA) is developed.Ca ²⁺ elevation is due to CF stimulation and IP3 inducedCa ²⁺ release (IICR). DAG andIP ₃ result from PF stimulation, while AA results from phospholipase A2 (PLA ₂). Simulations predict increased PKC activation when PF stimulation precedes CF stimulation by 0.1 to 3 s. The sensitivity of IICR to the temporal relation between PF and CF stimulation, together with the buffering system of Purkinje cells, significantly contribute to the temporal sensitivity.     

Investigations of the optical and EPR spectra for VO2+ in NaHC2O4 · H2O single crystals

Theoretical calculations of the optical absorption and electron paramagnetic resonance (EPR) spectra of VO²⁺ in NaHC₂O₄?·?H₂O single crystals were performed using the complete diagonalization energy matrix method (CDM) and the perturbation theory method (PTM) for the 3d ¹ electronic configuration. The calculated results are in good agreement with experimental results. The negative signs of hyperfine structure constants A _∥ and A _⊥ for VO²⁺ in NaHC₂O₄·H₂O single crystals are suggested from the calculations. Comparison of the two calculation methods indicates that the PTM is a good approximation of CDM and that both theoretical methods are valid in interpretation of the optical and EPR spectra for VO²⁺ ions in NaHC₂O₄?·?H₂O crystals.     

The temperature dependence of the optical dispersion parameters in Si and Ge

Abstract

In Si and Ge, the optical dispersion parameters (single-oscillator energy E_o , dispersion energy E_d and bond energy gap E_g developed by Wemple and DiDomenico, and Phillips) have been analysed in the temperature range 100-300 K using data obtained by Icenogle et al. E_o and E_g exhibit a very small temperature dependence in both materials. The thermal coefficients of the dispersion energy, dE_d/dT, have opposite signs (Si, –41·9 × 10^?4eVK^?1; Ge, +37·7 × 10^?4eVK^?1).     

An inverse Ruddlesden-Popper nitride Ca7(Li1−xFex)Te2N2 grown from Ca flux

Nitridoferrates containing monovalent iron ions are a class of materials of recent interest as potentially novel magnetic materials. Aiming at the exploration of nitridoferrates of calcium, we report the single crystal growth from Ca ?ux and crystal structure of the first member (n?=?2) of a series of inverse Ruddlesden-Popper nitrides with a general formula of A_n?1A'₂B_nX_3n+1, where A?=?Li/Fe, A'?=?Te, B?=?N, and X?=?Ca. Single crystal X-ray diffraction analyses indicate the crystal with a composition of Ca₇(Li_0.32(1)Fe_0.68(1))Te₂N₂ and the tetragonal space group I4/mmm (a?=?4.7884(1) Å, c?=?25.3723(4) Å, Z?=?2). The structure features alternately stacking NaCl-type A'X slabs and the perovskite-type ABX₃ slabs along the c axis. The Li/Fe atoms are located in cuboctahedral cavities surrounded by eight Ca₆N octahedra in the ABX₃ slab. This work demonstrates the viability of the Ca-rich ?ux as a suitable solvent for the exploration of new complex nitrides with interesting crystal structure and properties.     

Distribution of Cr atoms in a strained and strain-relaxed Fe89.15Cr10.75 alloy: a Mössbauer effect study

An Fe_89.15Cr_10.75 alloy in a heavily strained (by cold rolling) state and in strain-relaxed states was studied by means of conversion electrons Mössbauer spectroscopy. Analysis of the spectra in terms of a two-shell model revealed significant differences between the studied samples, particularly in values of the hyperfine field and the distribution of Cr atoms within the first two neighbour shells. The latter is quantified in terms of short-range order parameters.     

The logic of linear tolerance

A nonempty sequence T₁,...,T_n of theories is tolerant, if there are consistent theories T ₁ ⁺ ,..., T _n ⁺ such that for each 1 i n, T _i ⁺ is an extension of T_i in the same language and, if i n, T _i ⁺ interprets T _i+1 ⁺ . We consider a propositional language with the modality , the arity of which is not fixed, and axiomatically define in this language the decidable logics TOL and TOL. It is shown that TOL (resp. TOL) yields exactly the schemata of PA-provable (resp. true) arithmetical sentences, if (A₁,..., A_n) is understood as (a formalization of) PA+A₁, ..., PA+A_n is tolerant.     

Synthesis and characterization of nanocrystalline MoBi2Te5 thin films for photoelectrode applications

Molybdenum bismuth telluride thin films have been prepared on clean glass substrate using arrested precipitation technique which is based on self-organized growth process. As deposited MoBi₂Te₅ thin films were dried in constant temperature oven at 110°C and further characterized for their optical, structural, morphological, compositional, and electrical analysis. Optical absorption spectra recorded in the wavelength range 300–800?nm showed band gap (E _g) 1.44?eV. X-ray diffraction pattern and scanning electron microscopic images showed that MoBi₂Te₅ thin films are granular, nanocrystalline having rhombohedral structure. The compositional analysis showed close agreements in theoretical and experimental atomic percentages of Mo⁴⁺, Bi³⁺, and Te^2? suggest that chemical formula MoBi₂Te₅ assigned to as deposited molybdenum bismuth telluride new material is confirmed. The electrical conductivity and thermoelectric power measurement showed that the films are semiconducting with n-type conduction. The fill factor and conversion efficiency was characterized by photoelectrochemical (PEC) technique. In this article, we report the optostructural, morphological, compositional, and electrical characteristics of nanocrystalline MoBi₂Te₅ thin films to check its suitability as photoelectrode in PEC cell.     

Investigations of the optical spectra and local structure for nickel(II) ions in XF2 (X = Mg,Zn) single crystals

A complete diagonalization energy matrix method (CDM) is proposed for 3d ⁸ ions in orthorhombic site (D _{2 h} ) symmetry. As an application, the optical spectra of XF₂ : Ni²⁺ (X = Mg, Zn) is well explained on the basis of both the CDM and the semi-self-consistent field d-orbital (semi-SCF d-orbital) theory. In addition, by establishing the relationship between the optical spectra and local structure, it has been possible to calculate the crystal structure parameters for XF₂:Ni²⁺ from optical measurements on Ni²⁺ ions. The theoretical results are in good agreement with experimental findings.     

A general nonmetric technique for finding the smallest coordinate space for a configuration of points

LetA ₁,A ₂, ...,A _n be anyn objects, such as variables, categories, people, social groups, ideas, physical objects, or any other. The empirical data to be analyzed are coefficients of similarity or distance within pairs (A _i,A _i ), such as correlation coefficients, conditional probabilities or likelihoods, psychological choice or confusion, etc. It is desired to represent these data parsimoniously in a coordinate space, by calculatingm coordinates {x _ia } for eachA _i for a semi-metricd of preassigned formd _ij =d(|x _i1 -x _j1 |, |x _i2 -x _j2|, ..., |x _im -x _jm |). The dimensionalitym is sought to be as small as possible, yet satisfy the monotonicity condition thatd _ij <d _kl whenever the observed data indicate thatA _i is closer toA _j thanA _k is toA _l . Minkowski and Euclidean spaces are special metric examples ofd. A general coefficient of monotonicity is defined, whose maximization is equivalent to optimal satisfaction of the monotonicity condition, and which allows various options both for treatment of ties and for weighting error-of-fit. A general rationale for algorithm construction is derived for maximizing by gradient-guided iterations; this provides a unified mathematical solution to the basic operational problems of norming the gradient to assure proper convergence, of trading between speed and robustness against undesired stationary values, and of a rational first approximation. Distinction is made between single-phase (quadratic) and two-phase (bilinear) strategies for algorithm construction, and between hard-squeeze and soft-squeeze tactics within these strategies. Special reference is made to the rank-image and related transformational principles, as executed by current Guttman-Lingoes families of computer programs.This research was supported in part by the National Science Foundation of the United States Government, through Grant No. GS 929 to the University of Michigan.I am deeply indebted for many helpful comments on earlier drafts of this paper received from Joseph Kruskal, James Lingoes, and the managing editor.     

Nondecomposable conjoint measurement for bisymmetric structures

This paper discusses two “nondecomposable” conjoint measurement representations for an asymmetric binary relation ? on a product set A × X, namely (a, x) ? (b, y) iff f₁(a) + g₁(a)g₂(x) > f₁(b) + g₁(b)g₂(y), and (a, x) ? (b, y) iff f₁(a) + f₂(x) + g₁(a)g₂(x) > f₁(b) + f₂(y) + g₁(b)g₂(y). Difficulties in developing axioms for ? on A × X which imply these representations in a general formulation have led to their examination from the standpoint of bisymmetric structures based on applications of a binary operation to A × X. Depending on context, the binary operation may refer to concatenation, extensive or intensive averaging, gambles based on an uncertain chance event, or to some other interpretable process. Independence axioms which are necessary and sufficient for the special representations within the context of bisymmetric structures are presented.     

Absorption and photoluminescence spectroscopy of Er3+-doped SrAl2O4 ceramic phosphors

A spectroscopic characterization of Er³⁺-doped SrAl₂O₄ phosphor materials synthesized by a solid-state reaction method with Er concentrations varying from 0.1 to 1?mol% has been performed by studying photoluminescence (PL) in the temperature range 10 to 360?K and absorption spectra. PL signals containing five emission bands at 1492, 1529, 1541, 1558, and 1600?nm, respectively, have been observed at room temperature for Er³⁺ transitions in the near infrared region. The samples exhibit a main luminescence peak at 1.54?µm, which is assigned to recombination via an intra-4f Er³⁺ transition. Sharp bands centered at around 378, 488, 521, 651, 980, 1492, and 1538?nm in the absorption spectra can be associated with transitions from ⁴I_15/2 level to ²H_9/2, ⁴F_7/2, ²H_11/2, ⁴F_9/2, ⁴I_11/2, ²H_11/2, and ⁴I_13/2 levels, respectively. The sharp emission peaks and excellent luminescence properties show that SrAl₂O₄ is a suitable host for rare-earth-doped phosphors, which may be suitable for optical applications.     

Theories with the Independence Property

A first-order theory T{{\mathcal T}} has the Independence Property provided T   \vdash (Q)(FT F₁ ú. . .úF_n){{{\mathcal T} \, \, \vdash (Q)(\Phi \Rightarrow {\Phi_1} \vee.\,.\,.\vee {\Phi_n})}} implies T   \vdash (Q)(FT F_i){{{\mathcal T} \, \, \vdash (Q)(\Phi \Rightarrow {\Phi_i})}} for some i whenever F,F₁, . . . ,F_n{{\Phi,\Phi_1,\,.\,.\,.\,,\Phi_n}} are formulae of a suitable type and (Q) is any quantifier sequence. Variants of this property have been noticed for some time in logic programming and in linear programming.     

On the consistency of intramodal intensity matching in olfaction

Magnitude matchings of odor intensity were obtained for three chemical compounds (hydrogen sulfide, pyridine, and dimethyl disulfide) in four experiments. An equal-sensation function in the form of a power function described the data well. This equation can be written neglecting the multiplicative constant, Ф_i = Ф_k ^b _ik, where i and k represent two different odorants. The exponent b_ik, where the first index stands for matching continuum and the second index for reference continuum, was fairly well predicted according to the formulae, (ie, 264, 2) where i, j, and k are three different odorants. The results validate the equal-sensation function and indicate implicitly that intensity matchings between different intramodal continua are approximately transitive and symmetric with respect to odor.     

The evaluation of linear forms

This presentation deals with the evaluation and transformation of linear forms. Especial emphasis is given to implicit methods in which it is not necessary to find the explicit values,x _i . The relation of the Aitken triple product matrixCA ^–1 B to the result of a linear transformation of linear forms is noted, and the numerical computation of this triple product matrix is indicated with the use of the simple Abbreviated Doolittle solution. Application is also made to the evaluation ofA ^–1 and ofA ^–1 C.     

Thermal stability and glass-forming ability of Se80− x Te20Ag x (x = 0, 3, 5, 7 and 9) chalcogenide glasses

The thermal stability and glass-forming ability (GFA) of Se_{80? x} Te₂₀Ag _x (x?=?0,?3,?5,?7 and 9) chalcogenide glasses have been investigated using differential scanning calorimetry (DSC). The DSC runs have been taken at five different heating rates (10, 20, 30, 40 and 50?K/min) under non-isothermal condition. The thermal stability and GFA are monitored through determination of the temperature difference ΔT?=?T _c???T _g, where T _c is the onset crystallization temperature, T _g is the glass transition temperature, H ^l is the stability parameter, ΔH _c is the enthalpy released during crystallization and F _i is the fragility index. The activation energy of crystallization E _c and crystallization rate factor K have also been determined as indicators of the thermal stability of the above-mentioned samples. It is found that Se₇₁Te₂₀Ag₉ is the most stable among all the samples of the series.     

Comparatal dispersion,a measure of accuracy of judgment

It is suggested that the ambiguity of aset of paired comparison judgments may be measured by the quantity _i ² + _j ² – 2r _{ij ii}, This quantity is termed thecomparatal dispersion. A simultaneous solution for scale values and ratios of comparatal dispersions has been presented and applied to some data on food preferences.This research was jointly supported in part by Princeton University, the Office of Naval Research under contract Nonr-1858(15), and the National Science Foundation under grant NSF G-642, and in part by Educational Testing Service. Reproduction in whole or in part is permitted for any purpose of the United States Government.     

Testing for selectivity in the dependence of random variables on external factors

Random variables A and B, whose joint distribution depends on factors (x,y), are selectively influenced by x and y, respectively, if A and B can be represented as functions of, respectively, (x,S_A,C) and (y,S_B,C), where S_A,S_B,C are stochastically independent and do not depend on (x,y). Selective influence implies selective dependence of marginal distributions on the respective factors: thus no parameter of A may depend on y. But parameters characterizing stochastic interdependence of A and B, such as their mixed moments, are generally functions of both x and y. We derive two simple necessary conditions for selective dependence of (A,B) on (x,y), which can be used to conduct a potential infinity of selectiveness tests. One condition is that, for any factor values x,x^′ and y,y^′,

s_xy≤s_xy^′+s_x^′y^′+s_x^′y,     

Understanding Public Reaction to Energy Proposals: An Application of the Fishbein Model1

The Fishbein attitude model was applied to voter decision-making on an energy ballot proposal. Questionnaires were sent to a random sample of potential voters in Oregon's 1976 general election and dealt with the Nuclear Safeguards Initiative, a measure that would place restrictions on future nuclear power plants. Questionnaire items probed the attitude toward the act of voting “Yes” on the measure (A_act), perceived likelihood of various consequences of voting “Yes” (B_i), evaluations of these consequences (e_i), the subjective norm (SN), normative beliefs (NB_i), motivation to comply with several referents (Mc_i), and voting intention (VI). A follow-up interview determined the actual voting behavior (VB) of persons responding to the questionnaire. The following model predictions were tested and strongly supported by the data: (a) VB=VI; and (e) external variables have a nonsignificant relation to VB once VI is partialled out. It was concluded that the Fishbein model should be extremely useful in understanding public reaction to future energy proposals.