Propriétés des défauts ponctuels dans les métaux c.f.c., hexagonaux et cubiques centrés

Abstract

We report results on calculations of the properties of point defects in several metals: f.c.c. (Al, Cu), h.c.p. (Be, Mg, Zn, Cd, Na, Co, Ti, Zr) and b.c.c. (Na). These properties have been evaluated using static computations performed with pair potentials derived from pseudo-potential theory or empirically deduced. In each case we have tried to state clearly the validity of the chosen theoretical approach and to clarify some issues arising in connection with the interpretation of experimental measurements.