SrTiO3(001)(2x1) reconstructions: First-principles calculations of surface energy and atomic structure compared with scanning tunneling microscopy images

(1x1) and (2x1) reconstructions of the (001) SrTiO3 surface were studied using the first-principles full-potential linear muffin-tin orbital method. Surface energies were calculated as a function of TiO2 chemical potential, oxygen partial pressure and temperature. The (1x1) unreconstructed surfaces were found to be energetically stable for many of the conditions considered. Under conditions of very low oxygen partial pressure the (2x1) Ti2O3 reconstruction [Martin R. Castell, Surf. Sci. 505, 1 (2002)] is stable. The question as to why STM images of the (1x1) surfaces have not been obtained was addressed by calculating charge densities for each surface. These suggest that the (2x1) reconstructions would be easier to image than the (1x1) surfaces. The possibility that the presence of oxygen vacancies would destabilise the (1x1) surfaces was also investigated. If the (1x1) surfaces are unstable then there exists the further possibility that the (2x1) DL-TiO2 reconstruction [Natasha Erdman Nature (London) 419, 55 (2002)] is stable in a TiO2-rich environment and for p(O2)>10(-18) atm.

Surface plasmon polariton propagation length: A direct comparison using photon scanning tunneling microscopy and attenuated total reflection

The propagation of surface plasmon polaritons (SPP's) is studied using a photon scanning tunneling microscope (PSTM) and conventional attenuated total reflection (ATR). The PSTM experiment uses localized (focused beam) launching or SPP's at a wavelength of 632.8 nm. Propagation of the SPP is observed as an exponentially decaying tail beyond the launch site acid the 1/e propagation length is measured directly for a series of Ag films of different thicknesses. The ATR measurements are used to characterize the thin film optical and thickness parameters, revealing, notably, the presence of a contaminating adlayer of Ag2S of typical dielectric function, 8.7 + i2.7, and thickness 1-2 nm. Values of the SPP propagation length, based on the ATR- derived film parameters used in the four-media implicit SPP dispersion relation, show very good agreement with those based on the PSTM images for the case of undercoupled or optimally coupled SPP modes. The observed propagation lengths are quantitatively analyzed taking explicit account of additional intrinsic damping due to the growth of the Ag2S layer and of reradiation of the SPP back into the prism outside the launch site. Finally, the PSTM images show excellent SPP beam confinement in the original propagation direction.

Infrared emission from tunneling electrons: The end of the rainbow in scanning tunneling microscopy

Electromagnetic radiation originating with localized surface plasmons in the metal-tip/metal-sample nanocavity of a scanning tunneling microscope is demonstrated to extend to a wavelength lambda of at least 1.7 mu m. Progressive spectral extension beyond lambda similar to 1.0 mu m occurs for increasing tip radius above similar to 15 nm, reaching lambda similar to 1.7 mu m for tip radius similar to 100 nm; these observations are corroborated by use of a simple physical model that relates the discrete plasmon mode frequencies to the tip radius. This spectral extension opens up a new regime for scanning tunneling microscope-based optical spectroscopy.

On the generation of metal clusters with the electrochemical scanning tunneling microscope

In the present work we consider two aspects of the deposition of metal clusters on an electrode surface. The formation of such clusters with the tip of a scanning tunneling microscope is simulated by atom dynamics. Subsequently the stability of these clusters is investigated by Monte Carlo simulations in a grand-canonical ensemble. In particular, the following systems were considered explicitly: Pd clusters on Au(111), Cu on Au(111), Ag on Au(111), Pb on Au(111) and Cu on Ag(111). The analysis of the results obtained for the different systems leads to the conclusion that optimal systems for nanostructuring are those where the metals participating have similar cohesive energies and negative heats of alloy formation. In this respect, the system Cu-Pd(111) is predicted as a good candidate for the formation of stable clusters. (c) 2005 Elsevier B.V. All rights reserved.

Electronic structures and bonding properties of chlorine-treated nitrogenated carbon nanotubes: X-ray absorption and scanning photoelectron microscopy studies

The electronic and bonding properties of nitrogenated carbon nanotubes (N-CNTs) exposed to chlorine plasma were investigated using C and N K-edge x-ray absorption near-edge structure (XANES) and scanning photoelectron microscopy (SPEM). The C and N K-edge XANES spectra of chlorine-treated N-CNTs consistently reveal the formation of pyridinelike N-CNTs by the observation of 1s ->pi(*)(e(2u)) antibonding and 1s ->pi(*)(b(2g)) bonding states. The valence-band photoemission spectra obtained from SPEM images indicate that chlorination of the nanotubes enhances the C-N bonding. First-principles calculations of the partial densities of states in conjunction with C K-edge XANES data identify the presence of C-Cl bonding in chlorine treated N-CNTs. (C) 2007 American Institute of Physics.

Safe fabrication of sharp gold tips for light emission in scanning tunnelling microscopy

Gold is the optimal tip metal for light emission in scanning tunnelling microscopy (LESTM) under ambient conditions. Sharp Au-tips of similar to 10nm radius were produced reliably using a safe, two-step etching method in 20% (w/w) CaCl2 solution. Previous CaCl2-based methods have tended to produce blunter tips, while other etching techniques that do produce sharp Au-tips, do so with the use of toxic or hazardous electrolytes. The tips are characterised using scanning electron microscopy and their efficacy in LESTM is evidenced by high-resolution, simultaneous topographic and photon mapping of Au(1 1 1)- and polycrystalline Au-surfaces. Spectra of the optical emission exhibit only one or two peaks with etched tips in contrast to the more complex spectra typical of cut tips; this feature, together with the highly symmetric geometry of the tips, facilitates a definitive analysis of the light emission process. (c) 2007 Elsevier B. V.. All rights reserved.

Scanning electron microscopy study of microstructural evolution of electroless nickel-phosphorus deposits with heat treatment

This paper follows previous X-ray diffraction work on crystallisation and phase transformation of electroless nickel–phosphorus deposits, concentrating on microstructural changes. Amorphous or nanocrystalline coatings, depending on their phosphorus content, were heat treated at temperatures between 100 and 500 °C for 1 h. Changes in microstructure after the heat treatment were examined using high-resolution field emission scanning electron microscope. Crystallisation and grain growth effects are observed, as well as some inherent defect structures in the coatings and their changes. These are compared with the previous X-ray diffraction work and in general, good agreement is observed. The complementary strength and weakness of the different characterisation techniques are discussed.