The role of the electrons-per-atom ratio in the structural stability of certain binary alloys

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Abstract

Reports on the structural phase stability of certain binary alloys of less simple metals. The results show that the one-electron contribution arising from the virtual crystal approximation dominates the structural prediction for some of the phases observed in these systems. The neutral object contribution describing the residual interaction of the pseudo-atoms simply reflects the concentration behaviour of the one-electron contribution. The calculations re-emphasise that the first non-vanishing reciprocal lattice vectors g and the diameter of the free electron Fermi sphere 2kF play a crucially important role in the structural energetics of the systems they consider.

Original languageEnglish
Article number007
Pages (from-to)303-309
Number of pages7
JournalJournal of Physics F: Metal Physics
Volume13
Issue number2
DOIs
Publication statusPublished - 1983

Fingerprint

Binary alloys
structural stability
binary alloys
Atoms
Electrons
free electrons
atoms
electrons
Phase stability
predictions
Metals
approximation
metals
crystals
Crystals
interactions

ASJC Scopus subject areas

  • Metals and Alloys
  • Physics and Astronomy (miscellaneous)

Cite this

The role of the electrons-per-atom ratio in the structural stability of certain binary alloys. / Mujibur Rahman, S. M.

In: Journal of Physics F: Metal Physics, Vol. 13, No. 2, 007, 1983, p. 303-309.

Research output: Contribution to journalArticle

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