| EPSRC Reference: |
GR/R62618/01 |
| Title: |
First Principles Simulation of Covalently Bonded Materials |
| Principal Investigator: |
Briddon, Dr P |
| Other Investigators: |
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| Researcher Co-Investigators: |
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| Project Partners: |
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| Department: |
School of Chemistry |
| Organisation: |
Newcastle University |
| Scheme: |
JREI |
| Starts: |
01 August 2002 |
Ends: |
31 July 2005 |
Value (£): |
172,380
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| EPSRC Research Topic Classifications: |
| Materials Characterisation |
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| EPSRC Industrial Sector Classifications: |
| Manufacturing |
Electronics |
| Energy |
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| Related Grants: |
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| Panel History: |
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Summary on Grant Application Form |
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A parallel processing computer facility is sought to perform first principles density functional studies in a number of problems in materials science, semiconductor physics and chemistry. This proposal is intended to enhance our cross-institutional collaboration. Specific problems to be addressed include (a) extended defects in semiconductors, their movement and electrical properties; (b) surface doping of diamond (c) technological properties of graphite; (d) point defects in semiconductors and their associated electrical, optical and vibrational properties; (e) the interaction and inter-conversion between point and extended defects; and (f) novel forms of carbon.
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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.ncl.ac.uk |