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

Ab-initio Study of the Properties of Advanced Metal Nitrides M2N3 (where M = Ta, V, Nb)

Not scheduled
CSIR Convention Centre

CSIR Convention Centre

CSIR, Pretoria
Poster Track G - Theoretical and Computational Physics


Ms Esther Orisakwe (University of Witwatersrand)


The structural, elastics, and electronic properties of the advanced metal nitrides M2N3 and their ternary phases are investigated using ab-initio plane wave pseudopotentials under the framework of density functional theory. The relative stability of the ternary phases were also computed. Results obtained were compared with the available experimental and theoretical data.

Primary author

Ms Esther Orisakwe (University of Witwatersrand)


Prof. J. E Lowther (University of Witswatersrand)

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