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SUMMARY:Theoretical study on possible structures for crystalline silicon d
 icarbide
DTSTART;VALUE=DATE-TIME:20110713T114500Z
DTEND;VALUE=DATE-TIME:20110713T120000Z
DTSTAMP;VALUE=DATE-TIME:20260419T114422Z
UID:indico-contribution-4903@events.saip.org.za
DESCRIPTION:Speakers: Richard Andrew (University of Pretoria)\nSi\, C and 
 SiC are very well known technologically important materials.  They have be
 en extensively studied in their multitude of structures and polytypes\, bu
 t there is a surprising dearth of information for off-50:50 compounds invo
 lving Si and C.  What are the possible stable structures for such compound
 s?  Using ab initio techniques\, we investigate two proposed structures fo
 r crystalline SiC2: cubic pyrite and a tetragonal glitter structure.  We f
 ind both structures to be metallic and mechanically stable.  From their el
 astic properties\, we make an assessment of the hardness of both structure
 s.  We find the tetragonal glitter phase to be lowest in energy with a pre
 ssure transition from the glitter to pyrite phase at 24.7 GPa.\n\nhttps://
 events.saip.org.za/event/7/contributions/4903/
LOCATION: Parthenon
URL:https://events.saip.org.za/event/7/contributions/4903/
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