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Angus I Kirkland

Publications and source records attributed to Angus I Kirkland.

8 recordsLinked to original sources
PubMed2006

Correlation of structural and electronic properties in a new low-dimensional form of mercury telluride.

Using high resolution electron microscopy and first principles quantum mechanical calculations we have explored the fundamental physics and chemistry of the semiconductor, HgTe grown inside single wall carbon nanotubes. This material forms a low-dimensional structure based on a repeating Hg2Te2 motif in which both atom species adopt new coordination geometries not seen in the bulk. Density-functional theory calculations confirm the stability of this structure and demonstrate conclusively that it arises solely as a consequence of constrained low dimensionality. This change is directly correlated with a modified electronic structure in which the low-dimensional form of HgTe is transformed from a bulk semimetal to a semiconductor.

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PubMed2004

A versatile double aberration-corrected, energy filtered HREM/STEM for materials science.

A HREM/STEM incorporating aberration correctors in both the probe-forming and imaging lenses has been installed at Oxford University. This unique instrument is also equipped with an in-column energy-loss (Omega-type) filter, HAADF detectors above and beneath the filter, and an EDX system. Initial tests have shown it to be capable of approximately 0.1 nm resolution in both TEM and HAADF STEM imaging modes. Some examples of applications are finally presented.

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PubMed2004

"Indirect" high-resolution transmission electron microscopy: aberration measurement and wavefunction reconstruction.

Improvements in instrumentation and image processing techniques mean that methods involving reconstruction of focal or beam-tilt series of images are now realizing the promise they have long offered. This indirect approach recovers both the phase and the modulus of the specimen exit plane wave function and can extend the interpretable resolution. However, such reconstructions require the a posteriori determination of the objective lens aberrations, including the actual beam tilt, defocus, and twofold and threefold astigmatism. In this review, we outline the theory behind exit plane wavefunction reconstruction and describe methods for the accurate and automated determination of the required coefficients of the wave aberration function. Finally, recent applications of indirect reconstruction in the structural analysis of complex oxides are presented.

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PubMed2004

Growing and characterizing one-dimensional crystals within single-walled carbon nanotubes.

Single-walled carbon nanotubes (SWNTs) have been used as growth templates for spatially confined crystal growth. The comparative crystallization and high-resolution transmission electron microscopy imaging properties of simple binary halides formed by the alkali iodides MI (M = Li, K, Na, Rb and Cs) within SWNTs are described. The most common structure type observed within SWNTs was the rocksalt archetype, although CsI was observed to form both body-centred cubic (bcc) and rocksalt structure types. ThCl4 was found to form a chain structure of Th[Cl]8 polyhedra. HgI2 crystallized within nanotubes with ultra-narrow (i.e. 0.8 nm) capillaries was observed to form helical 2 x 1 layer crystals.

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PubMed2003

An encapsulated helical one-dimensional cobalt iodide nanostructure.

Single-walled carbon nanotubes (SWNTs) can be used as templates for the growth of low-dimensional inorganic materials whose structures and properties often differ greatly from those of the bulk. Here we describe the detailed crystallography of an entire helical one-dimensional cobalt diiodide nanostructure encapsulated within a SWNT. This material has an unprecedented twisted double tetrahedral chain structure arising from a rotation of Co(2)I(4) units along its length. The complete nanostructure comprises two distinct regions with oppositely handed helices separated by a short disordered region. The encapsulating SWNT shows a commensurate ovoid distortion reflecting an unexpectedly strong interaction between the nanostructure and the SWNT.

Cobalt↗
PubMed2003

Calculations of spherical aberration-corrected imaging behaviour.

Different optimal operating conditions for a C3-corrected transmission electron microscope were compared for both conventional field emission sources and for the next generation of monochromated instruments. In particular, the contrast transfer functions and corresponding wave aberration functions for two previously proposed optimal conditions in which C3 is adjusted to compensate, respectively, C5 or Cc are critically compared. The results indicate that in the presence of a small positive C5 the former provides flat transfer to the information limit whereas the latter shows oscillatory transfer at high spatial frequencies, which is more pronounced for the monochromated instrument. The effects of this behaviour were further investigated through multislice simulations of Si [110] and diamond [110] under the C5-limited condition. These confirm that for the former structure with an interatomic separation of 0.14 nm this aberration has little influence, but that for the latter with a sub-0.1 nm interatomic separation its presence leads to a restricted defocus range over which the structure is faithfully resolved.

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PubMed2002

Structural characterization of atomically regulated nanocrystals formed within single-walled carbon nanotubes using electron microscopy.

The structural chemistry of nanoscale materials encapsulated within single-walled carbon nanotubes (SWNTs) is reviewed. SWNTs form atomically thin channels within a restricted diameter range, and their internal van der Waals surfaces regulate the growth behavior of encapsulated crystals in a precise fashion, leading to atomically regulated growth. The structural properties of these systems are largely dictated by the structural chemistry of the bulk material, although significant deviations from bulk structures are often observed, with lower surface coordinations and substantial lattice distortions.

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