Impurity-vacancy interaction in a metal

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Abstract
Using a generalization of the model first introduced by Mott for dealing with impurities in monovalent metals, the interaction between an impurity and a vacancy has been studied. Detailed computations have been carried out for the case of copper, with a divalent impurity and a vacancy at a separation of 5 atomic units. The interaction is attractive, the associated energy being calculated as 0.08(4) ev when exchange and correlation energies are neglected. Inclusion of these effects reduces the interaction energy to 0.03(3) ev. A previous calculation by Lazarus leads to a value of 0.045 ev for the case considered here, while a modification of the Lazarus expression proposed by the present writers gives 0.035 ev. Thus the present work tends to substantiate further the Lazarus theory of solute diffusion in metals.

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