| EPSRC Reference: |
GR/K28657/01 |
| Title: |
MODELLING OF STM AND STS AT OXIDE SURFACES |
| Principal Investigator: |
James, Dr R |
| Other Investigators: |
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| Project Partners: |
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| Department: |
Physics |
| Organisation: |
University of Bath |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
23 March 1995 |
Ends: |
22 March 1997 |
Value (£): |
64,116
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| EPSRC Research Topic Classifications: |
| Materials Characterisation |
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Summary on Grant Application Form |
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Computational models of scanning tunnelling microscopy (STM) and spectroscopy (STS) will be developed, to facilitate direct quantitative comparison with experiments performed at the University of Manchester. Surfaces of the technologically important wide-bandgap semiconductors Titanium Dioxide and Zinc Oxide will be studied. Atomic-orbital-based methods of modelling the surface and tip will be benchmarked against ab initio pseudopotential methods. The former will then be used to investigate the effect of tip morphology and composition on images and spectra, and of different (including novel) methods of calculating tunnelling currents. The distribution of current and contrast throughout the surface Brillouin zone will be studied. The methods (which when fully developed need not be restricted to wide bandgap materials) will then be used to look at more complex surfaces of the oxides, including reconstructions, oxygen defects and metallic and molecular adsorbates, with the direct aim of aiding interpretation of experimental results.
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Key Findings |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Potential use in non-academic contexts |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Impacts |
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| Description |
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk |
| Summary |
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| Date Materialised |
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Sectors submitted by the Researcher |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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| Project URL: |
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| Further Information: |
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| Organisation Website: |
http://www.bath.ac.uk |