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Phys. Rev. B 61, 6637–6644 (2000)

Site selectivity and bonding in the β-phase aluminides: Studies of RuAl, PdAl, and Pd and Ru dopants in NiAl

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Million Daniel
Department of Physics and Institute of Materials Science, University of Connecticut, Storrs, Connecticut 06269

Mahalingam Balasubramanian
Department of Applied Science, Brookhaven National Laboratory, Upton, New York 11977

Dale Brewe
Argonne National Laboratory/APS, Building 435E, sector 20, 9700 South Cass Avenue, Argonne, Illinois 60439

Michael J. Mehl
Center for Computational Materials Science, Naval Research Laboratory, Washington, DC 20375-5345

Douglas Pease and Joseph I. Budnick
Department of Physics and Institute of Materials Science, University of Connecticut, Storrs, Connecticut 06269

Received 9 August 1999; revised 18 November 1999; published in the issue dated 1 March 2000

We have determined the site selectivity of Ru and Pd dopants in β-phase NiAl. For both transition metal rich and poor compositions, the Ru or Pd dopant goes to the Ni sublattice. The local structural disorder introduced by Pd dopants is significantly greater for the Al-rich than for the TM-rich composition. We have also determined the temperature dependence of the x-ray absorption fine structure Debye-Waller term for Ru atoms in stoichiometric RuAl, Ru in NiAl, and Pd in NiAl. We find evidence for large local shear resistance for Ru dopants in NiAl relative to Pd dopants in NiAl. These results are discussed in terms of calculated elastic moduli and cohesive energies of PdAl and RuAl.

© 2000 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.61.6637
DOI:
10.1103/PhysRevB.61.6637
PACS:
61.10.Ht, 61.66.Dk
 
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