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@ARTICLE{Hhler:54006,
author = {Höhler, H. and Atodiresei, N. and Schroeder, K. and
Zeller, R. and Dederichs, P. H.},
title = {{I}mpurity-{V}acancy {C}omplexes in {S}i and {G}e},
journal = {Hyperfine interactions},
volume = {158},
issn = {0304-3843},
address = {Dordrecht [u.a.]},
publisher = {Springer Science + Business Media B.V},
reportid = {PreJuSER-54006},
pages = {37 - 40},
year = {2006},
note = {Record converted from VDB: 12.11.2012},
abstract = {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.},
keywords = {J (WoSType)},
cin = {IFF-TH-III / IFF-TH-I},
ddc = {530},
cid = {I:(DE-Juel1)VDB32 / I:(DE-Juel1)VDB30},
pnm = {Kondensierte Materie},
pid = {G:(DE-Juel1)FUEK414},
shelfmark = {Physics, Atomic, Molecular $\&$ Chemical / Physics,
Condensed Matter / Physics, Nuclear},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000235281400007},
doi = {10.1007/s10751-005-9005-7},
url = {https://juser.fz-juelich.de/record/54006},
}