Lattice relaxations at substitutional im
โ
Matthias Scheffler
๐
Article
๐
1987
๐
Elsevier Science
โ 1018 KB
The positions of the crystal nuclei in the surrounding of substitutional impurities in Si and GaAs have been calculated using density-functional theory together with the local-density approximation for exchange and correlation and the total-energy gradient approach. These investigations give a qual