Phase stability during martensitic transformation in ZrCu intermetallics: crystal and electronic structure aspects

This article is dedicated to the estimation of the relative stability for B2, B19` and Cm phase in ZrCu intermetallic compound through the ab-initio electronic structure calculations and subsequent crystal structure Rietveld refinement. The information about electronic and crystal structure of phases in ZrCu will allow selecting for this high temperature shape memory alloy such alloying elements that will significantly improve shape memory behavior through definite structural changes.status: publishe