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Details of Grant 

EPSRC Reference: GR/N39586/01
Title: ADSORPTION OF PHOSPHINES ON SI (001)
Principal Investigator: Srivastava, Professor G
Other Investigators:
Researcher Co-Investigators:
Project Partners:
Department: Physics
Organisation: University of Exeter
Scheme: Overseas Travel Grants Pre-FEC
Starts: 01 June 2000 Ends: 30 November 2000 Value (£): 1,000
EPSRC Research Topic Classifications:
Surfaces & Interfaces
EPSRC Industrial Sector Classifications:
Related Grants:
Panel History:  
Summary on Grant Application Form
Superior quality n-type Si thin films are usually fabricated by adding phosphine gas in a controlled manner during the CVD growth by the pyrolysis of silane. Several experimental investigations, notably XPS, STM, TPD and IR studies have clearly indicated that the phosphine molecule (PH3) is adsorbed in a disscociated manner, with the presence of PH2 nad H on different Si dimer atoms on the Si (001) surface. This is however, no clear proof for this from any direct experimental investigation. On the other hand, to the best of our knowledge, there are no theoretical investigation of the PH3/Si (001) system. In this programme we plan to make ab-nitio calculations to determine the atomic geometry, electronic structure and vibrational modes of various plausible atomic site of dissociative adsorption of PH3 on Si(001). Our results should provide firm evidence of the lowest -energy adsorption configuration and thus strengthen some of the outcomes of recent experimental studies on this system.
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Organisation Website: http://www.ex.ac.uk