90 resultados para ELECTRIC-FIELD-GRADIENT
em QUB Research Portal - Research Directory and Institutional Repository for Queen's University Belfast
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Silver nanorods have been grown by electrodeposition into thin film porous alumina templates (AAO). Optical transmission measurements using p-polarized incident white light shows clear plasmon resonance extinction peaks. We successfully model the dependence on angle in incidence of extinction peak height and position using a multiple-multipoles (MMP) approach with the different spectral features being clearly associated with the effective electric field distribution and coupling between individual nanorods.
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In the presence of a (time-dependent) macroscopic electric field the electron dynamics of dielectrics cannot be described by the time-dependent density only. We present a real-time formalism that has the density and the macroscopic polarization P as key quantities. We show that a simple local function of P already captures long-range correlation in linear and nonlinear optical response functions. Specifically, after detailing the numerical implementation, we examine the optical absorption, the second- and third-harmonic generation of bulk Si, GaAs, AlAs and CdTe at different level of approximation. We highlight links with ultranonlocal exchange-correlation functional approximations proposed within linear response time-dependent density functional theory framework.
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Understanding the effect of electric fields on the physical and chemical properties of two-dimensional (2D) nanostructures is instrumental in the design of novel electronic and optoelectronic devices. Several of those properties are characterized in terms of the dielectric constant which play an important role on capacitance, conductivity, screening, dielectric losses and refractive index. Here we review our recent theoretical studies using density functional calculations including van der Waals interactions on two types of layered materials of similar two-dimensional molecular geometry but remarkably different electronic structures, that is, graphene and molybdenum disulphide (MoS2). We focus on such two-dimensional crystals because of they complementary physical and chemical properties, and the appealing interest to incorporate them in the next generation of electronic and optoelectronic devices. We predict that the effective dielectric constant (ε) of few-layer graphene and MoS2 is tunable by external electric fields (E ext). We show that at low fields (E ext < 0.01 V/Å) ε assumes a nearly constant value ∼4 for both materials, but increases at higher fields to values that depend on the layer thickness. The thicker the structure the stronger is the modulation of ε with the electric field. Increasing of the external field perpendicular to the layer surface above a critical value can drive the systems to an unstable state where the layers are weakly coupled and can be easily separated. The observed dependence of ε on the external field is due to charge polarization driven by the bias, which show several similar characteristics despite of the layer considered. All these results provide key information about control and understanding of the screening properties in two-dimensional crystals beyond graphene and MoS2
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The acceleration of multi-MeV protons from the rear surface of thin solid foils irradiated by an intense (similar to 10(18) W/cm(2)) and short (similar to 1.5 ps) laser pulse has been investigated using transverse proton probing. The structure of the electric field driving the expansion of the proton beam has been resolved with high spatial and temporal resolution. The main features of the experimental observations, namely, an initial intense sheath field and a late time field peaking at the beam front, are consistent with the results from particle-in-cell and fluid simulations of thin plasma expansion into a vacuum.
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This paper shows that penetration of the applied electric field into the electrodes of a ferroelectric thin film capacitor produces both an interfacial capacitance and an effective mechanism for electron tunneling. The model predictions are compared with experimental results on Au-BST-SrRuO3 capacitors of varying thicknesses, and the agreement is excellent.
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Reduced-size polarized (ZmPolX) basis sets are developed for the second-row atoms X = Si, P, S, and Cl. The generation of these basis sets follows from a simple physical model of the polarization effect of the external electric field which leads to highly compact polarization functions to be added to the chosen initial basis set. The performance of the ZmPolX sets has been investigated in calculations of molecular dipole moments and polarizabilities. Only a small deterioration of the quality of the calculated molecular electric properties has been found. Simultaneously the size of the present reduced-size ZmPolX basis sets is about one-third smaller than that of the usual polarized (PolX) sets. This reduction considerably widens the range of applications of the ZmPolX sets in calculations of molecular dipole moments, dipole polarizabilities, and related properties.
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The growth of magnetic fields in the density gradient of a rarefaction wave has been observed in simulations and in laboratory experiments. The thermal anisotropy of the electrons, which gives rise to the magnetic instability, is maintained by the ambipolar electric field. This simple mechanism could be important for the magnetic field amplification in astrophysical jets or in the interstellar medium ahead of supernova remnant shocks. The acceleration of protons and the generation of a magnetic field by the rarefaction wave, which is fed by an expanding circular plasma cloud, is examined here in form of a 2D particle-in-cell simulation. The core of the plasma cloud is modeled by immobile charges, and the mobile protons form a small ring close to the cloud's surface. The number density of mobile protons is thus less than that of the electrons. The protons of the rarefaction wave are accelerated to 1/10 of the electron thermal speed, and the acceleration results in a thermal anisotropy of the electron distribution in the entire plasma cloud. The instability in the rarefaction wave is outrun by a TM wave, which grows in the dense core distribution, and its magnetic field expands into the rarefaction wave. This expansion drives a secondary TE wave. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4769128]
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The expansion of an initially unmagnetized planar rarefaction wave has recently been shown to trigger a thermal anisotropy-driven Weibel instability (TAWI), which can generate magnetic fields from noise levels. It is examined here whether the TAWI can also grow in a curved rarefaction wave. The expansion of an initially unmagnetized circular plasma cloud, which consists of protons and hot electrons, into a vacuum is modelled for this purpose with a two-dimensional particle-in-cell (PIC) simulation. It is shown that the momentum transfer from the electrons to the radially accelerating protons can indeed trigger a TAWI. Radial current channels form and the aperiodic growth of a magnetowave is observed, which has a magnetic field that is oriented orthogonal to the simulation plane. The induced electric field implies that the electron density gradient is no longer parallel to the electric field. Evidence is presented here that this electric field modification triggers a environments, which are needed to explain the electromagnetic emissions by astrophysical jets. It is outlined how this instability could be examined experimentally.second magnetic instability, which results in a rotational low-frequency magnetowave. The relevance of the TAWI is discussed for the growth of small-scale magnetic fields in astrophysical