Point defects in B2 compounds

• Point defects in B2 compounds are described with a model based on the formula (A,B,Va),(B,A,Va), and results are compared with previous results from two models based on combined defects and using the formulae (A,B), (B,A), and (A,Va)(1) (B,A)(1) The comparison is straight-forward close to the stoichiometric composition but not closer to the pure elements. Using the more general model, it is demonstrated that the fact that vacancies are the predominant defect in some B2 compounds with a small excess of B atoms depends primarily on interactions between next-nearest neighbours rather than on a high enthalpy of formation of the compound, as proposed earlier.

Nyckelord

intermetallics

point defects

thermodynamic modelling

long-range order

intermetallic phases

thermodynamics

alloys

Publikations- och innehållstyp

ref (ämneskategori)

art (ämneskategori)