231 resultados para conduction band electrons


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We report interesting anomalies in the temperature dependent Raman spectra of FeSe0.82 measured from 3 K to 300 K in the spectral range from 60 to 1800 cm(-1) and determine their origin using complementary first-principles density functional calculations. A phonon mode near 100 cm-1 exhibits a sharp increase by similar to 5% in the frequency below a temperature T-s (similar to 100 K) attributed to strong spin-phonon coupling and onset of short-range antiferromagnetic order. In addition, two high frequency modes are observed at 1350 cm-1 and 1600 cm-1, attributed to electronic Raman scattering from (x(2)-y(2)) to xz/yz d-orbitals of Fe. (C) 2010 Elsevier Ltd. All rights reserved.

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A novel PBG cell based on micromachining of Silicon using wet anisotropic etching has been considered. Since this is based on etching of the Silicon substrate, it is amenable to fabrication with standard Silicon processes and integration with millimeter wave circuits. We characterize this kind of PBG cell by full wave simulations using a time domain code. For the purpose of characterization, the scenario of a 50 ohm microstrip line placed on a Silicon substrate which is anisotropically etched to create patterns with sloping walls is considered. This is shown to produce the well known PBG response of stop bands in certain frequency bands. We look at the variation in the transmission coefficient (S-21) response as the number of periods, length based average fill factor and depth of micromachining are varied. One application of a low pass filter has been proposed and simulated results are given.

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Microwave sources used in present day applications are either multiplied source derived from basic quartz crystals, or frequency synthesizers. The frequency multiplication method increases FM noise power considerably, and has very low efficiency in addition to being very complex and expensive. The complexity and cost involved demands a simple, compact and tunable microwave source. A tunable dielectric resonator oscillator(DRO) is an ideal choice for such applications. In this paper, the simulation, design and realization of a tunable DRO with a center frequency of 6250 MHz is presented. Simulation has been carried out on HP-Ees of CAD software. Mechanical and electronic tuning features are provided. The DRO operates over a frequency range of 6235 MHz to 6375 MHz. The output power is +5.33 dBm at centre frequency. The performance of the DRO is as per design with respect to phase noise, harmonic levels and tunability. and hence, can conveniently be used for the intended applications.

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Lanthanide complexes of formulation [La(B)(2)(NO3)(3)] (1-3) and [Gd(B)(2)(NO3)(3)] (4-6), where B is a N,N-donor phenanthroline base, namely, 1,10-phenanthroline (phen in 1, 4),dipyrido[3,2-d2',3'-f]quinoxaline (dpq in 2,5) and dipyrido[3,2-a2',3'-c]phenazine (dppz in 3, 6), have been prepared, characterized from physicochemical data, and their photoinduced DNA and protein cleavage activity studied The photocytotoxicity of the dppz complexes 3 and 6 has been studied using HeLa cancer cells. The complexes exhibitligand centered bands in the UV region The dppz complexes show thelowest energy band at 380 nm in N,N-dimethylformamide (DMF) The La(III)complexes are diamagnetic. The Gd(III) complexes (4-6) have magneticmoments that correspond to seven unpaired electrons The complexes are1(.)1 electrolytic in aqueous DMF The dpq and dppz complexes in DMFshow ligand-based reductions. The complexes display moderate binding propensity to calf thymus DNA giving binding constant values in the range of 5.7 x 10(4)-5.8 x 10(5) M-1 with a relative order. 3, 6 (dppz)> 2, 5 (dpq) > 1, 4 (phen) The binding data suggest DNA surface and/or groove binding nature of the complexes. The complexes do not show any hydrolytic cleavage of plasmid supercoiled pUC19 DNA. The dpq and dppz complexes efficiently cleave SC DNA to its nicked circular form onexposure to UV-A light of 365 nm at nanomolar complex concentration. Mechanistic studies reveal the involvement of singlet oxygen (O-1(2)) and hydroxyl radical (HO center dot) as the cleavage active species.The complexes show binding propensity to bovine serum albumin (BSA)protein giving K-BSA values of similar to 10(5) M-1. The dppz complexes 3 and 6 show BSA protein cleavage activity in UV-A light of 365 nm The dppz complexes 3 and 6 exhibit significant photocytotoxicity in HeLa cells giving respective IC50 values of 341 nM and 573 nM in UV-A light of 365 nm for an exposure time of 15 min (IC50 > 100 mu M in dark for both the complexes) Control experiments show significant dark and phototoxicity of the dppz base alone (IC50 = 413 nM in light with 4 h incubation in dark and 116 mu M in dark with 24 h incubation). A significant decrease in the dark toxicity of the dppz base is observedon binding to the lanthanide ions while retaining similar phototoxicity.

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Infrared spectra of substituted benzoyl chlorides and benzoyl bromides have been studied. The extent of splitting of the carbonyl band in benzoyl chlorides varies with substitution. While benzoyl bromide shows the carbonyl band as a single peak, para-nitrobenzoyl bromide shows a doublet. The results are interpreted in terms of intramolecular vibration effects (Fermi resonance). The intense band in the 860–880 cm−1 region in benzoyl chloride and benzoyl bromide has been assigned to the Ph-C stretching vibration.

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Doping dependent current-voltage (I-V) and capacitance-voltage (C-V) measurements were carried out on polypyrrole devices in metal-polymer-metal sandwich structure. Temperature dependent I-V measurements infer that space-charge limited conduction (SCLC) with exponential trap distribution is appropriate for the moderately doped samples, whereas trap-free SCLC is observed in lightly doped samples. Trap densities and energies are estimated, the effective mobility is calculated using the Poole-Frenkel model, and the mobility exhibits thermally activated behavior. Frequency dependent capacitance-voltage characteristics show a peak near zero bias voltage, which implies that these devices are symmetric with a negligible barrier height at the metal-polymer interface. Low frequency capacitance measurements have revealed a negative capacitance at higher voltages due to the processes associated with the injection and redistribution of space-charges. (C) 2010 American Institute of Physics.

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Using Huxley's solution of the diffusion equation for electron-attaching gases, the ratio of diffusion coefficient D to mobility μ for electrons in dry air was measured over the range 3·06 × 10-17

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The hardening cubic spring oscillator is studied under narrow-band gaussian excitation. Equivalent linearization leads to multiple steady states. The realizability of the solution is discussed through stochastic stability analysis. Theoretical results are supported by numerical simulation.

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A number of AgI based fast ion conducting glasses, with a general formula AgI---Ag2O---MxOy (MxOy=MoO3, SeO3, WO3, V2O5, P2O5, GeO2, B2O3, As2O3, CrO3) have been studied. A chemical approach is made to investigate the origin of fast ion conduction in these glasses. An index known as Image tructural Image npinning Image umber, SUN (S), has been defined for the purpose, based on the unscreened nuclear charge of silver ions and the equilibrium lectronegativities of the halide-oxyanion matrix in these glasses. The variation of the glass transition temperature, Tg, conductivity, σ, and the energy of activation, Ea, with the concentration of AgI are discussed in the light of the structural unpinning number. Conductivities increase uniformly in any given glass series as a smooth function of S and level off at very high values. The entire range of conductivity appears to vary as ln Image , where ln σ0 corresponds roughly to the conductivity of the hypothetical AgI glass and “a” is a constant which could be obtained as the slope in the graph of ln Ea versus S. It is suggested that the increase in the concentration of AgI beyond 75–80 mole% in the glass is not advantageous from the conductivity point of view.

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A modified linear prediction (MLP) method is proposed in which the reference sensor is optimally located on the extended line of the array. The criterion of optimality is the minimization of the prediction error power, where the prediction error is defined as the difference between the reference sensor and the weighted array outputs. It is shown that the L2-norm of the least-squares array weights attains a minimum value for the optimum spacing of the reference sensor, subject to some soft constraint on signal-to-noise ratio (SNR). How this minimum norm property can be used for finding the optimum spacing of the reference sensor is described. The performance of the MLP method is studied and compared with that of the linear prediction (LP) method using resolution, detection bias, and variance as the performance measures. The study reveals that the MLP method performs much better than the LP technique.

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Anderson localised states in the bulk of a disordered medium appear as sharp resonances near the surface. The resonant backscattering leads to an energy-dependent random time delay for an incident electron. We derive an analytic expression for the delay-time probability distribution at a given energy. This is shown to give a 1/f noise for the surface currents in general.

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We have investigated the electronic structure of Ba1-xKxBiO3 (0band towards EF and at the superconducting composition a finite density of O(2p) states is observed near EF. Similarly, the Ba(5p) binding energies decrease with potassium doping, indicating increased metallicity. The behavior of the O(1s), Ba(5p), and the valence band resembles that of all the cuprate superconductors and we conclude that in all these oxide superconductors, a hole in the (filled) O(2p) band is the carrier responsible for superconductivity, which predicts hole conduction in the Ba-K-Bi-O and Ba-Pb-Bi-O systems.

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In this work, using self-consistent tight-binding calculations. for the first time, we show that a direct to indirect band gap transition is possible in an armchair graphene nanoribbon by the application of an external bias along the width of the ribbon, opening up the possibility of new device applications. With the help of the Dirac equation, we qualitatively explain this band gap transition using the asymmetry in the spatial distribution of the perturbation potential produced inside the nanoribbon by the external bias. This is followed by the verification of the band gap trends with a numerical technique using Magnus expansion of matrix exponentials. Finally, we show that the carrier effective masses possess tunable sharp characters in the vicinity of the band gap transition points.

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