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Electronic Energies of Interaction of Point Defects with Interfaces and Grain Boundaries

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Vasseur J., Deymier P., Akjouj A., Dobrzynski L., Djafari-Rouhani B.

Acta Physica Polonica A

1992

vol. 81

issue 1

39-46

The electronic energies of interaction of a point defect with interfaces and grain boundaries are calculated, as a function of the distance x_{03} between the point defect and the corresponding planar defect. These interaction energies are shown to have the same type of oscillations as the corresponding local electronic densities. Therefore the electronic interactions more significantly affect the energy of segregation of point defects towards interfaces when x_{03} is in the near vicinity of these interfaces, while at large distances the contribution of elastic interactions can dominate.

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1 Acta Physica Polonica A

1 1992

1 Akjouj A.

1 Deymier P.

1 Djafari-Rouhani B.

1 Dobrzynski L.

1 Vasseur J.

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Electronic Energies of Interaction of Point Defects with Interfaces and Grain Boundaries