Abstract
CuPd and CuPt have unique aspects in their equilibrium ordered structures. CuPd takes the bcc-based B2 (CsCl-type) structure despite the fcc structure for each constituent metal, while CuPt is the sole example of the L${1}_{1}$ structure. We demonstrate that the local-density-functional electronic-structure calculation can reproduce the correct stable structures for both compounds among the three ordered phases, B2, L${1}_{1}$, and L${1}_{0}$ (CuAu type). Furthermore, a pressure-induced phase transition for CuPt from the L${1}_{1}$ to B2 structure is predicted. The critical pressure is estimated to be about 41 GPa, but a possible lowering of this value by Cu enrichment is expected. Experimental tests for these predictions are encouraged.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
