Phys. Rev. Lett. 66, 1753–1756 (1991)Long-range order in binary late-transition-metal alloysReceived 28 December 1990; published in the issue dated 1 April 1991 A ground-state search of a generalized, many-body Ising Hamiltonian whose interaction energies are determined from first-principles local-density calculations reveals that PtX intermetallics for X=Ni, Cu, Rh, and Pd will form stable ordered structures at low temperatures. In contrast, d-band tight-binding models universally predict phase separation in all late-transition-metal alloys. It is shown that the previously neglected s-electron cohesion is responsible for this phase stability. © 1991 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.66.1753
DOI:
10.1103/PhysRevLett.66.1753
PACS:
71.45.Nt, 61.55.Hg
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