First principles study on structural, electronic and elastic properties of AgX and AuX (XÂ =Â Mg, Sc, Zn and Cd) intermetallic compounds

Article ID	Journal	Published Year	Pages	File Type
1561600	Computational Materials Science	2012	8 Pages	PDF

Abstract

âº The DFT calculations have been performed for eight B2 - type intermetallic compounds. âº Hybridization between bands presented by partial band structure for AgZn and AuZn. âº Calculated elastic moduli obey traditional mechanical stability of cubic condition. âº The AuZn is most ductile amongst the AgX and AuX compounds.

Keywords

Intermetallics Elastic properties Thermal properties Ductility Ab-initio calculations

Related Topics

Physical Sciences and Engineering Engineering Computational Mechanics

Preview

First principles study on structural, electronic and elastic properties of AgX and AuX (XÂ =Â Mg, Sc, Zn and Cd) intermetallic compounds

Authors

Sunil Singh Chouhan, Gitanjali Pagare, S.P. Sanyal, M. Rajagopalan,