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)
