| Abstract: | This work describes a calculation of the formation energy and volume for a vacancy in transition metals. One uses a tight-binding scheme for the d band and a Born-Mayer type potential to account for the repulsive part of the energy at small distances. The results show that the relaxation energy is small in all cases, less than 0.1 eV. This seems to be coherent with the good agreement obtained for the theoretical and experimental values of the formation energy Efv of the vacancy, without including relaxation. The center of the transitional series is found to give a contraction (formation volume of order ?0.4 at. vol.) whereas the edges are found to produce dilatations. |
