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

Ab initio study of the crystal structures and mechanical properties of some late transition-metal nitrides

Not scheduled
CSIR Convention Centre

CSIR Convention Centre

CSIR, Pretoria
Poster Track G - Theoretical and Computational Physics

Speaker

Mr MOHAMMED SULEIMAN (University of the Witwatersrand)

Description

The crystal structures and mechanical properties of some late transition metal-nitrides at different stoichiometries and different structures have been investigated using first-principles density-functional theory. Obtained results were compared with theory and with experiment whenever possible.

Primary author

Mr MOHAMMED SULEIMAN (University of the Witwatersrand)

Co-author

Prof. DANIEL JOUBERT (University of the Witwatersrand)

Presentation Materials

There are no materials yet.