975 resultados para Local density of states - (LDOS)
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We theoretically investigate spin-polarized transport in a system composed of a ferromagnetic scanning-tunneling-microscope (STM) tip coupled to an adsorbed atom (adatom) on a host surface. Electrons can tunnel directly from the tip to the surface or via the adatom. Since the tip is ferromagnetic and the host surface (metal or semiconductor) is nonmagnetic we obtain a spin-diode effect when the adatom is in the regime of single occupancy. This effect leads to an unpolarized current for direct bias (V > 0) and polarized current for reverse (V < 0) bias voltages, if the tip is nearby the adatom. Within the nonequilibrium Keldysh technique we analyze the interplay between the lateral displacement of the tip and the intra adatom Coulomb interaction on the spin-diode effect. As the tip moves away from the adatom the spin-diode effect vanishes and the currents become polarized for both V > 0 and V < 0. We also find an imbalance between the up and down spin populations in the adatom, which can be tuned by the tip position and the bias. Finally, due to the presence of the adsorbate on the surface, we observe spin-resolved Friedel oscillations in the current, which reflects the oscillations in the calculated local density of states (LDOS) of the subsystem surface + adatom.
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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Pós-graduação em Ciência dos Materiais - FEIS
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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
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We use a functional integral formalism developed earlier for the pure Luttinger liquid (LL) to find an exact representation for the electron Green function of the LL in the presence of a single backscattering impurity in the low-temperature limit. This allows us to reproduce results (well known from the bosonization techniques) for the suppression of the electron local density of states (LDOS) at the position of the impurity and for the Friedel oscillations at finite temperature. In addition, we have extracted from the exact representation an analytic dependence of LDOS on the distance from the impurity and shown how it crosses over to that for the pure LL.
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Two-dimensional electronic systems play a crucial role in modern electronics and offer a multitude of opportunities to study the fundamental phenomena at low dimensional physics. A quantum well heterostructure based on polyaniline (P) and iodine doped polyaniline (I) thin films were fabricated using radio frequency plasma polymerization on indium tin oxide coated glass plate. Scanning probe microscopy and scanning electron microscopy studies were employed to study the morphology and roughness of the polymer thin films. Local electronic density of states (LDOS) of the P–I–P heterostructures is probed using scanning tunnelling spectroscopy (STS). A step like LDOS is observed in the P–I–P heterostructure and is attributed to the quantum well confinement of electrons in the polymer heterostructure.
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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We investigate the impact of hydroxyl groups on the properties of C(60)(OH)(n) systems, with n = 1, 2, 3, 4, 8, 10, 16, 18, 24, 32 and 36 by means of first-principles density functional theory calculations. A detailed analysis from the local density of states has shown that adsorbed OH groups can induce dangling bonds in specific carbon atoms around the adsorption site. This increases the tendency to form polyhydroxylated fullerenes (fullerenols). The structural stability is analyzed in terms of the calculated formation enthalpy of each species. Also, a careful examination of the electron density of states for different fullerenols shows the possibility of synthesizing single molecules with tunable optical properties.
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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Pós-graduação em Ciência dos Materiais - FEIS
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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The electronic structure of atomically precise armchair graphene nanoribbons of width N=7 (7-AGNRs) are investigated by scanning tunneling spectroscopy (STS) on Au(111). We record the standing waves in the local density of states of finite ribbons as a function of sample bias and extract the dispersion relation of frontier electronic states by Fourier transformation. The wave-vector-dependent contributions from these states agree with density functional theory calculations, thus enabling the unambiguous assignment of the states to the valence band, the conduction band, and the next empty band with effective masses of 0.41±0.08me,0.40±0.18me, and 0.20±0.03me, respectively. By comparing the extracted dispersion relation for the conduction band to corresponding height-dependent tunneling spectra, we find that the conduction band edge can be resolved only at small tip-sample separations and has not been observed before. As a result, we report a band gap of 2.37±0.06 eV for 7-AGNRs adsorbed on Au(111).
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The defect effect on hydrogen adsorption on single-walled carbon nanotubes (SWNTs) has been studied by using extensive molecular dynamics simulations and density functional theory (DFT) calculations. It indicates that the defects created on the exterior wall of the SWNTs by bombarding the tube wall with carbon atoms and C-2 dimers at a collision energy of 20 eV can enhance the hydrogen adsorption potential of the SWNTs substantially. The average adsorption energy for a H-2 molecule adsorbed on the exterior wall of a defected (10,10) SWNT is similar to 150 meV, while that for a H-2 molecule adsorbed on the exterior wall of a perfect (10,10) SWNT is similar to 104 meV. The H-2 sticking coefficient is very sensitive to temperature, and has a maximum value around 70 to 90 K. The electron density contours, the local density of states, and the electron transfers obtained from the DFT calculations clearly indicate that the H-2 molecules are all physisorbed on the SWNTs. At temperatures above 200 K, most of the H-2 molecules adsorbed on the perfect SWNT are soon desorbed, but the H-2 molecules can still remain on the defected SWNTs at 300 K. The detailed processes of H-2 molecules adsorbing on and desorbing from the (10,10) SWNTs are demonstrated.
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Systematic low-temperature measurements of the thermal conductivity, specific heat, dielectric constant, and temperature-dependent ultrasound velocity have been made on a single piece of vitreous silica. These measurements were repeated after fast neutron irradiation of the material. It was found that the irradiation produced changes of the same relative magnitude in the low-temperature excess specific heat C , the thermal conductivity K, ex and the anomalous temperature dependence of the ultrasound velocity Deltav/v. A corresponding change in the temperature dependent dielectric constant was not observed. It is therefore likely that K and Deltav/v are determined by the same localized excitations responsible for C , but the temperature dependence of the dielectric constant may have a different, though possibly related, origin. Furthermore, a consistent account for the measured C , K, ex and Deltav/v of unirradiated silica is given by the tunneling-state model with a single, energy-dependent density of states. Changes in these three properties due to irradiation can be explained by altering only the density of tunneling states incorporated in the model.