% IMPORTANT: The following is UTF-8 encoded. This means that in the presence % of non-ASCII characters, it will not work with BibTeX 0.99 or older. % Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or % “biber”. @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}, }