Covalent Contribution to the Bond Energy of Phases with Ll2 Structure Academic Article uri icon


  • The Brillouin-Wigner pseudopotential perturbation theory is used for calculating multi-ion interaction effects contributing to the mixing energy and the total bond energy of phases with Ll2 structure. It is shown that these contributions are of the same order as the mixing energy itself and they must be taken into account in theoretical investigations of the order–disorder phase transition temperature. Numerical results for some alloys with Ll2 structure are presented and the phase transition temperatures for Cu3Au and Au3Cu are discussed. [Russian Text Ignored.]

publication date

  • April 1, 1982