966 resultados para S. X. y P.


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Using first-principles methods we have calculated electronic structures, optical properties, and hole conductivities of CuXO2 (X=Y, Sc, and Al). We show that the direct optical band gaps of CuYO2 and CuScO2 are approximately equal to their fundamental band gaps and the conduction bands of them are localized. The direct optical band gaps of CuXO2 (X=Y, Sc, and Al) are 3.3, 3.6, and 3.2 eV, respectively, which are consistent with experimental values of 3.5, 3.7, and 3.5 eV. We find that the hole mobility along long lattice c is higher than that along other directions through calculating effective masses of the three oxides. By analyzing band offset we find that CuScO2 has the highest valence band maximum (VBM) among CuXO2 (X=Y, Sc, and Al). In addition, the approximate transitivity of band offset suggests that CuScO2 has a higher VBM than CuGaO2 and CuInO2 [Phys. Rev. Lett. 88, 066405 (2002)]. We conclude that CuScO2 has a higher p-type doping ability in terms of the doping limit rule. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2991157]

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X + Y has attitude, enigma and re-establishes a venue drenched in a Valley persona etched over seven decades and surrounded by bars of a new generation. This is a bar without judgement, dress codes and without absolute refinement.

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The seismic survey is the most effective prospecting geophysical method during exploration and development of oil/gas. The structure and the lithology of the geological body become increasingly complex now. So it must assure that the seismic section own upper resolution if we need accurately describe the targets. High signal/noise ratio is the precondition of high-resolution. For the sake of improving signal/noise ratio, we put forward four methods for eliminating random noise on the basis of detailed analysis of the technique for noise elimination using prediction filtering in f-x-y domain. The four methods are put forward for settling different problems, which are in the technique for noise elimination using prediction filtering in f-x-y domain. For weak noise and large filters, the response of the noise to the filter is little. For strong noise and short filters, the response of the noise to the filter is important. For the response of the noise, the predicting operators are inaccurate. The inaccurate operators result in incorrect results. So we put forward the method using prediction filtering by inversion in f-x-y domain. The method makes the assumption that the seismic signal comprises predictable proportion and unpredictable proportion. The transcendental information about predicting operator is introduced in the function. The method eliminates the response of the noise to filtering operator, and assures that the filtering operators are accurate. The filtering results are effectively improved by the method. When the dip of the stratum is very complex, we generally divide the data into rectangular patches in order to obtain the predicting operators using prediction filtering in f-x-y domain. These patches usually need to have significant overlap in order to get a good result. The overlap causes that the data is repeatedly used. It effectively increases the size of the data. The computational cost increases with the size of the data. The computational efficiency is depressed. The predicting operators, which are obtained by general prediction filtering in f-x-y domain, can not describe the change of the dip when the dip of the stratum is very complex. It causes that the filtering results are aliased. And each patch is an independent problem. In order to settle these problems, we put forward the method for eliminating noise using space varying prediction filtering in f-x-y domain. The predicting operators accordingly change with space varying in this method. Therefore it eliminates the false event in the result. The transcendental information about predicting operator is introduced into the function. To obtain the predicting operators of each patch is no longer independent problem, but related problem. Thus it avoids that the data is repeatedly used, and improves computational efficiency. The random noise that is eliminated by prediction filtering in f-x-y domain is Gaussian noise. The general method can't effectively eliminate non-Gaussian noise. The prediction filtering method using lp norm (especially p=l) can effectively eliminate non-Gaussian noise in f-x-y domain. The method is described in this paper. Considering the dip of stratum can be accurately obtained, we put forward the method for eliminating noise using prediction filtering under the restriction of the dip in f-x-y domain. The method can effectively increase computational efficiency and improve the result. Through calculating in the theoretic model and applying it to the field data, it is proved that the four methods in this paper can effectively solve these different problems in the general method. Their practicability is very better. And the effect is very obvious.

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Five new compounds in the system (NH4)Cl/HgCl2/H2O have been obtained as colourless single crystals, (NH4)Hg5Cl11, (NH4)(2)Hg3Cl8(H2O), (NH4)(4)Hg3Cl10(H2O)(2), (NH4)(2)HgCl4(H2O), and (NH4)(10)Hg3Cl16. In all of these, as in HgCl2 itself, (almost) linear HgCl2 molecules persist with Hg-Cl distances varying from 229 to 236 pm. In (NH4)(10)Hg3Cl16 there are also tetrahedra [HgCl4] with d(Hg-Cl) = 247 pm present. If larger Hg-Cl distances (of up to 340 pm) are considered as belonging to the coordination sphere of Hg-II, the structures may be described as consisting of isolated octahedra and tetrahedra as in (NH4)(10)Hg3Cl16, edge-connected chains as in (NH4)(2)HgCl4(H2O), edge-connected chains and layers of octahedra as in (NH4)(4)Hg3Cl10(H2O)(2), corrugated layers of edge-connected octahedra as in (NH4)(2)Hg3Cl8(H2O), and, finally, a three-dimensional network of connected six- and seven-coordinate Hg-Cl polyhedra as in (NH4)Hg5Cl11. The water molecules are never attached to Hg-II. The (NH4)(+) cations, and sometimes Cl- anions, play a role for electroneutrality only.

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<p>Metallo-azomethine ylides, generated from imines by the action of amine bases in combination with LiBr or AgOAc, undergo cycloaddition with both 1R, 2S, 5R- and 1S, 2R, 5S-menthyl acrylate at room temperature to give homochiral pyrrolidines in excellent yield. The stronger the base the faster the cycloaddition and the greater the yield with: 2-t-butyl-1,1,3,3-tetramethylguanidine > DBU > NEt(3) X-Ray crystal structures of representative cycloadducts establish that the absolute configuration of the newly established pyrrolidine stereocentres is independent of the metal salt and the size of the pyrrolidineC(2)-substituent for a series of aryl and aliphatic imines.p>

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La presente es un ejercicio investigativo que intenta comprender cómo se produce en el ámbito laboral la interacción generacional al interior de la Secretaria Nacional de Educación Ciencia y Tecnología (SENESCYT), para dar respuesta a la hiptesis planteada respecto a si la diversidad de edad dentro de la organización incide en la eficiencia y eficacia de su gestión pblica. De manera general, este trabajo de investigación se desarrolla en cuatro captulos. En el primer captulo se realiza un análisis de la situación actual y la estructura orgánica de la SENESCYT. En el segundo captulo al ser un trabajo intelectual se parte de concebir a las organizaciones como fenómenos culturales y construcciones sociales en las que los seres humanos imprimen un conjunto de prácticas y conocimientos que corresponden al mundo simbólico al cual dan vida y pertenecen, también se conceptualiza a las generaciones que actualmente se encuentran en actividad laboral dentro de las organizaciones, que para el presente estudio se ha considerado la clasificación de Wendy Mondy como generación de los Baby Boomers, generación X y generación Y, buscando identificar en el tercer captulo los principales elementos y características de los funcionarios que pertenecen a estas generaciones dentro de la institución objeto de la investigación, para posteriormente en el cuarto captulo desps de aplicar las herramientas metodológicas seleccionadas (encuesta, entrevista y observación participante), explicar cómo la interacción generacional, entre los funcionarios(a)s pertenecientes a las tres generaciones en estudio aporta a la eficiencia y eficacia de los resultados de la gestión pblica de la SENESCYT. Al final se detallan algunas conclusiones y recomendaciones que refieren al campo académico y la función pblica.

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We consider independent edge percolation models on Z, with edge occupation probabilities. We prove that oriented percolation occurs when beta > 1 provided p is chosen sufficiently close to 1, answering a question posed in Newman and Schulman (Commun. Math. Phys. 104: 547, 1986). The proof is based on multi-scale analysis.

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[Ba(1-x)Y(2x/3)](Zr(0.25)Ti(0.75))O(3) powders with different yttrium concentrations (x = 0, 0.025 and 0.05) were prepared by solid state reaction. These powders were analyzed by X-ray diffraction (XRD). Fourier transform Raman scattering (FT-RS), Fourier transform infrared (FT-IR) and X-ray absorption near-edge (XANES) spectroscopies. The optical properties were investigated by means of ultraviolet-visible (UV-vis) absorption spectroscopy and photoluminescence (PL) measurements. Even with the addition of yttrium, the XRD patterns revealed that all powders crystallize in a perovskite-type cubic structure. FT-RS and FT-IR spectra indicated that the presence of [YO(6)] clusters is able to change the interaction forces between the O-Ti-O and O-Zr-O bonds. XANES spectra were used to obtain information on the off-center Ti displacements or distortion effects on the [TiO(6)] clusters. The different optical band gap values estimated from UV-vis spectra suggested the existence of intermediary energy levels (shallow or deep holes) within the band gap. The PL measurements carried out with a 350 nm wavelength at room temperature showed that all powders present typical broad band emissions in the blue region. (C) 2010 Elsevier Masson SAS. All rights reserved.

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We employed the Density Functional Theory along with small basis sets, B3LYP/LANL2DZ, for the study of FeTIM complexes with different pairs of axial ligands (CO, H(2)O, NH(3), imidazole and CH(3)CN). These calculations did not result in relevant changes of molecular quantities as bond lengths, vibrational frequencies and electronic populations supporting any significant back-donation to the carbonyl or acetonitrile axial ligands. Moreover, a back-donation mechanism to the macrocycle cannot be used to explain the observed changes in molecular properties along these complexes with CO or CH(3)CN. This work also indicates that complexes with CO show smaller binding energies and are less stable than complexes with CH(3)CN. Further, the electronic band with the largest intensity in the visible region (or close to this region) is associated to the transition from an occupied 3d orbital on iron to an empty pi* orbital located at the macrocycle. The energy of this Metal-to-Ligand Charge Transfer (MLCT) transition shows a linear relation to the total charge of the macrocycle in these complexes as given by Mulliken or Natural Population Analysis (NPA) formalisms. Finally, the macrocycle total charge seems to be influenced by the field induced by the axial ligands. (C) 2011 Elsevier Ltd. All rights reserved.

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Fundação de Amparo à Pesquisa do Estado de So Paulo (FAPESP)

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We investigate the solution of the gap equation for mixed order parameter symmetry states as a function of filling using a two-dimensional tight-binding model incorporating second-neighbor hopping for tetragonal and orthorhombic lattice, the principal (major) component of the order parameter is taken to be of the d(x2-y2) type, As suggested in several investigations the minor component of the order parameter is taken to be of the d(xy) type. Both the permissible mixing angles 0 and pi/2 between the two components are considered. As a function of filling pronounced maxima of d(x2-y2) order parameter is accompanied by minima of the d(xy) order parameter. At fixed filling. The temperature dependence of the two components of the order parameter is also studied in all cases. The variation of critical temperature T, with filling is also studied and T-c is found to increase with second-neighbor hopping. (C) 2001 Elsevier B.V. B.V. All rights reserved.

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We present a search for associated Higgs boson production in the process p (p) over bar -> WH -> WWW*-> l(+/-)nu l('+/-)nu(')+X in final states containing two like-sign isolated electrons or muons (e(+/-)e(+/-), e(+/-)mu(+/-), or mu(+/-)mu(+/-)). The search is based on D0 run II data samples corresponding to integrated luminosities of 360-380 pb(-1). No excess is observed over the predicted standard model background. We set 95% C.L. upper limits on sigma ->(p (p) over bar WH) x Br(H -> WW*) between 3.2 and 2.8 pb for Higgs boson masses from 115 to 175 GeV.

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Systematic studies in manganites of spinel structure have been undertaken. We report on the magnetic properties of two particular cases, in which one of the transition metals, Mg2+ is non-magnetic (NiMgxMn2-xO4) or presents a stable oxidation state, Cu2+ (CoxCuyMnzO4, x + y + z = 3). The magnetic behaviour is described with respect to varying contents of cobalt, copper or manganese. A ferrimagnetic transition is observed at 110-120 K, which depends on the cobalt content. Presence of copper increases the coercive field by a factor of ten with respect to the parent compound NiMn2O4. (c) 2006 Elsevier B.V. All rights reserved.