21 resultados para Local electronic structures
Resumo:
The electronic and magnetic properties of the transition metal sesqui-oxides Cr(2)O(3), Ti(2)O(3), and Fe(2)O(3) have been calculated using the screened exchange (sX) hybrid density functional. This functional is found to give a band structure, bandgap, and magnetic moment in better agreement with experiment than the local density approximation (LDA) or the LDA+U methods. Ti(2)O(3) is found to be a spin-paired insulator with a bandgap of 0.22 eV in the Ti d orbitals. Cr(2)O(3) in its anti-ferromagnetic phase is an intermediate charge transfer Mott-Hubbard insulator with an indirect bandgap of 3.31 eV. Fe(2)O(3), with anti-ferromagnetic order, is found to be a wide bandgap charge transfer semiconductor with a 2.41 eV gap. Interestingly sX outperforms the HSE functional for the bandgaps of these oxides.
Resumo:
Classes of lattice material are reviewed, and their fracture response is explored in the context of the core of a sandwich panel. Attention is focussed on the strength of a sandwich plate with centre-cracked core made from an elastic-brittle square lattice. Predictions are summarised for the un-notched strength of the sandwiched core and for the fracture toughness of the lattice under remote tension, remote compression or remote shear. It is assumed that the lattice fails when the local stress in the cell walls attains the tensile or compressive strength of the solid, or when local buckling occurs. The local failure mechanism that dictates the unnotched strength may be different from that dictating the fracture toughness. Fracture mechanism maps are generated in order to reveal the dominant local failure mechanism for any given cell wall material.
Resumo:
We have prepared single crystalline SnO2 and ZnO nanowires and polycrystalline TiO2 nanotubes (1D networks) as well as nanoparticle-based films (3D networks) from the same materials to be used as photoanodes for solid-state dye-sensitized solar cells. In general, superior photovoltaic performance can be achieved from devices based on 3-dimensional networks, mostly due to their higher short circuit currents. To further characterize the fabricated devices, the electronic properties of the different networks were measured via the transient photocurrent and photovoltage decay techniques. Nanowire-based devices exhibit extremely high, light independent electron transport rates while recombination dynamics remain unchanged. This indicates, contrary to expectations, a decoupling of transport and recombination dynamics. For typical nanoparticle-based photoanodes, the devices are usually considered electron-limited due to the poor electron transport through nanocrystalline titania networks. In the case of the nanowire-based devices, the system becomes limited by the organic hole transporter used. In the case of polycrystalline TiO2 nanotube-based devices, we observe lower transport rates and higher recombination dynamics than their nanoparticle-based counterparts, suggesting that in order to improve the electron transport properties of solid-state dye-sensitized solar cells, single crystalline structures should be used. These findings should aid future design of photoanodes based on nanowires or porous semiconductors with extended crystallinity to be used in dye-sensitized solar cells. © 2013 The Royal Society of Chemistry.
Resumo:
We experimentally demonstrate an on-chip compact and simple to fabricate silicon Schottky photodetector for telecom wavelengths operating on the basis of internal photoemission process. The device is realized using CMOS compatible approach of local-oxidation of silicon, which enables the realization of the photodetector and low-loss bus photonic waveguide at the same fabrication step. The photodetector demonstrates enhanced internal responsivity of 12.5mA/W for operation wavelength of 1.55µm corresponding to an internal quantum efficiency of 1%, about two orders of magnitude higher than our previously demonstrated results [22]. We attribute this improved detection efficiency to the presence of surface roughness at the boundary between the materials forming the Schottky contact. The combination of enhanced quantum efficiency together with a simple fabrication process provides a promising platform for the realization of all silicon photodetectors and their integration with other nanophotonic and nanoplasmonic structures towards the construction of monolithic silicon opto-electronic circuitry on-chip.
Resumo:
We experimentally demonstrate an on-chip nanoscale silicon surface-plasmon Schottky photodetector based on internal photoemission process and operating at telecom wavelengths. The device is fabricated using a self-aligned approach of local-oxidation of silicon (LOCOS) on silicon on insulator substrate, which provides compatibility with standard complementary metal-oxide semiconductor technology and enables the realization of the photodetector and low-loss bus photonic waveguide at the same fabrication step. Additionally, LOCOS technique allows avoiding lateral misalignment between the silicon surface and the metal layer to form a nanoscale Schottky contact. The fabricated devices showed enhanced detection capability for shorter wavelengths that is attributed to increased probability of the internal photoemission process. We found the responsivity of the nanodetector to be 0.25 and 13.3 mA/W for incident optical wavelengths of 1.55 and 1.31 μm, respectively. The presented device can be integrated with other nanophotonic and nanoplasmonic structures for the realization of monolithic opto-electronic circuitry on-chip.
Resumo:
We experimentally demonstrate an on-chip nanoscale silicon surface-plasmon Schottky photodetector based on internal photoemission process and operating at telecom wavelengths. The device is fabricated using a self-aligned approach of local-oxidation of silicon (LOCOS) on silicon on insulator substrate, which provides compatibility with standard complementary metal-oxide semiconductor technology and enables the realization of the photodetector and low-loss bus photonic waveguide at the same fabrication step. Additionally, LOCOS technique allows avoiding lateral misalignment between the silicon surface and the metal layer to form a nanoscale Schottky contact. The fabricated devices showed enhanced detection capability for shorter wavelengths that is attributed to increased probability of the internal photoemission process. We found the responsivity of the nanodetector to be 0.25 and 13.3 mA/W for incident optical wavelengths of 1.55 and 1.31 μm, respectively. The presented device can be integrated with other nanophotonic and nanoplasmonic structures for the realization of monolithic opto-electronic circuitry on-chip. © 2011 American Chemical Society.