Chemical binding energy of point defects in b.c.c. transition metals
- 1 May 1979
- journal article
- research article
- Published by Taylor & Francis in Philosophical Magazine Part B
- Vol. 39 (5) , 447-455
- https://doi.org/10.1080/13642817908245814
Abstract
The chemical binding energy of two point defects in paramagnetic b.c.c. metals is estimated in the generalized double-scattering scheme of Gautier, Moraitis and Parlebas (1976). For pairs consisting of an interstitial and a d-metal impurity, and also an sp impurity and a d impurity, calculation yields a strong variation of the binding energy with the filling of the b.c.c. host bands. If δZ is the difference in charge between the substitutional d impurity and the matrix ion-cores, it is shown that, for small values of δZ, the binding energy is proportional to δZ. For δZ greater than 1, this perturbing limit breaks down and a complete calculation has been made.Keywords
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