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@ARTICLE{Mller:1029019,
author = {Müller, P. C. and Elliott, S. R. and Dronskowski, R. and
Jones, R. O.},
title = {{C}hemical bonding in phase-change chalcogenides},
journal = {Journal of physics / Condensed matter},
volume = {36},
number = {32},
issn = {0953-8984},
address = {Bristol},
publisher = {IOP Publ.},
reportid = {FZJ-2024-04937},
pages = {325706 -},
year = {2024},
abstract = {lmost all phase-change memory materials (PCM) contain
chalcogen atoms, and their chemical bonds have been denoted
both as 'electron-deficient' [sometimes referred to as
'metavalent'] and 'electron-rich' ['hypervalent',
multicentre]. The latter involve lone-pair electrons. We
have performed calculations that can discriminate
unambiguously between these two classes of bond and have
shown that PCM have electron-rich, 3c–4e ('hypervalent')
bonds. Plots of charge transferred between (ET) and shared
with (ES) neighbouring atoms cannot on their own distinguish
between 'metavalent' and 'hypervalent' bonds, both of which
involve single-electron bonds. PCM do not exhibit
'metavalent' bonding and are not electron-deficient; the
bonding is electron-rich of the 'hypervalent' or multicentre
type.},
cin = {PGI-1},
ddc = {530},
cid = {I:(DE-Juel1)PGI-1-20110106},
pnm = {5211 - Topological Matter (POF4-521)},
pid = {G:(DE-HGF)POF4-5211},
typ = {PUB:(DE-HGF)16},
pubmed = {38697198},
UT = {WOS:001224980700001},
doi = {10.1088/1361-648X/ad46d6},
url = {https://juser.fz-juelich.de/record/1029019},
}