Segregation of dopant atoms on extended defects in semiconductors

We performed a theoretical investigation on the interaction of dopant atoms with extended defects in semiconductors using ah initio total energy calcu lations. Dopant atoms (donors and accepters) were found to segregate in sta cking faults in silicon and in gallium arsenide, with segregation energies as large as 0.2 eV. A general trend on the electronic properties of segrega ted dopants in stacking faults is that the donor (or acceptor) electronic e nergy levels become deeper in the electronic gap, as compared to those leve ls for the defect in a crystalline site. (C) 2001 Elsevier Science B.V. All rights reserved.