TY  - JOUR
AU  - Höhler, H.
AU  - Atodiresei, N.
AU  - Schroeder, K.
AU  - Zeller, R.
AU  - Dederichs, P. H.
TI  - Impurity-Vacancy Complexes in Si and Ge
JO  - Hyperfine interactions
VL  - 158
SN  - 0304-3843
CY  - Dordrecht [u.a.]
PB  - Springer Science + Business Media B.V
M1  - PreJuSER-54006
SP  - 37 - 40
PY  - 2006
N1  - Record converted from VDB: 12.11.2012
AB  - We examine the electronic and geometrical structure Of impurity-vacancy complexes for 11 sp-impurities in Si and Ge, using the pseudopotential plane wave (PPW) and the all-electron Kohn-Korringa-Rostoker (KKR) methods. We find that all impurities of the 5sp and 6sp series prefer the split-vacancy configuration. For Cd and Sn we obtain good agreement Of the calculated hyperfine parameters with experimental PAC and EPR data. Impurities of the 3sp and 4sp series form distorted substitutional complexes (except Al, which forms a split complex in Si). This trend strongly correlates with the lattice relaxations of nearest neighbors around the isolated (without vacancy) substitutional impurities.
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000235281400007
DO  - DOI:10.1007/s10751-005-9005-7
UR  - https://juser.fz-juelich.de/record/54006
ER  -