27 September 2010 to 1 October 2010
CSIR Convention Centre
Africa/Johannesburg timezone

Ab-initio modeling of non-stociometric FeO1-xSx using the VCA approach

Not scheduled
CSIR Convention Centre

CSIR Convention Centre

CSIR, Pretoria
Poster Track A - Condensed Matter Physics and Material Science

Speaker

Mr Masilu Godfrey Mulaudzi (Materials Modelling Center - University of Limpopo)

Description

We present an ab-initio study of non-stochiometric mixed iron oxide / sulfide using the virtual crystal approximation (VCA). This allows us to analyse the cell parameter, the bulk modulus and the density of states as a function of sulfur content.

Primary author

Mr Masilu Godfrey Mulaudzi (Materials Modelling Center - University of Limpopo)

Co-author

Dr Lutz Ackermann (Materials Modelling Center - University of Limpopo)

Presentation Materials

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