Artículos de revistas
A model for relaxation in intermetallic compounds
Registro en:
Journal Of Physics-condensed Matter. Iop Publishing Ltd, v. 9, n. 23, n. 4801, n. 4812, 1997.
0953-8984
WOS:A1997XE20300004
10.1088/0953-8984/9/23/004
Autor
Ferreira, LG
Boselli, MA
Institución
Resumen
We use the density functional inspired model for alloying and lattice vibrations to study the relaxation of the intermetallic binary systems Ni-Al and Cu-Au. In one case the data set is made up of first-principles results por the intermetallics in their cubic form. In the other case the data set is mostly experimental. The parametrization is performed in the direct space and it resembles a parametrization for an Ising Hamiltonian, though with distance dependent pair interactions. In both cases three-body and many-body interactions were not needed, and the pair interactions did not go beyond the second-neighbour shell. 9 23 4801 4812