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Session W23: Metals: Alloys and Compounds

2:30 PM–5:30 PM, Thursday, March 8, 2007
Colorado Convention Center Room: 110

Sponsoring Unit: DCMP
Chair: Stefano Curtarolo, Duke University

Abstract ID: BAPS.2007.MAR.W23.11

Abstract: W23.00011 : A new intermetallic prototype? Verifying new structure predictions in CdPt and PtPd*

4:30 PM–4:42 PM

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Author:

Gus Hart
(Brigham Young University)

A recent data-mining approach to predicting the structure of intermetallic compounds has suggested that the CdPt and PtPd systems harbor a new crystal structure. Unlike other such predictions, this one is unique. The structure, never seen in any other fcc- based intermetallic, contains only four atoms per unit cell. Furthermore, this structure is the only one of this small size, except L1$_2$, that cannot be characterized as a sequential stacking of planes containing only A or B atoms. The stability of such a structure is tested using an exhaustive search of a cluster-expansion Hamiltonian.

*Supported by NSF DMR-0650406

To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2007.MAR.W23.11