| EPSRC Reference: |
GR/H67935/01 |
| Title: |
FIRST-PRINCIPLES STUDY OF STRUCTURE AND ELECTRICAL PROPERTIES OF LIQUID SEMICONDUCTORS |
| Principal Investigator: |
Gillan, Professor M |
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| Department: |
Physics |
| Organisation: |
Keele University |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 June 1993 |
Ends: |
31 May 1996 |
Value (£): |
88,865
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Summary on Grant Application Form |
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The aim of the project is to use new methods of first-principles simulation to shed light on the relations between structure and electrical properties of liquid semiconductors - specifically tellurium and its alloys. Mott's classification of conduction mechanisms according to the ratio of mean free path to interatomic spacing and the extended or localised nature of the states provides an overall framework for understanding, but many obscurities remain, in spite of very extensive experimental measurements of liquid structure factors, conductivity, thermopower, magnetic susceptibility etc. Recently developed first principles (Car-Parrinello) simulation offers the possibility for the first time of making fully realistic simulations of liquid semiconductor alloys, and calculating both structural and electronic properties in a unified way. The proposal is to use these methods to investigate in detail a particularly important class of semiconducting liquids: tellurium and its alloys with In and alkali metals. The work will give information about the variation with alloy composition of the three- dimensional liquid structure, the electronic density of states and the spatial character of the electronic wavefunctions, which cannot be obtained directly from experiment. This new information will allow current theories to be tested in unprecedented detail.
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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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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.keele.ac.uk |