Publication:
A profound analysis of Rb-2[PH] and Cs-2[PH] and the role of [PH](2-) ions during temperature-induced solid-solid phase transitions

dc.contributor.coauthorHochrein, Oliver
dc.contributor.coauthorZahn, Dirk
dc.contributor.departmentDepartment of Chemistry
dc.contributor.kuauthorSomer, Mehmet Suat
dc.contributor.kuauthorSchnering, H. G. Von
dc.contributor.kuprofileFaculty Member
dc.contributor.kuprofileOther
dc.contributor.yokid178882
dc.contributor.yokidN/A
dc.date.accessioned2024-11-10T00:02:21Z
dc.date.issued2014
dc.description.abstractThe temperature-induced solid-solid transformation of Rb-2[PH] and Cs-2[PH] is characterized from both experiment and theory. Neutron diffraction, IR-spectroscopy and ab-initio molecular dynamics simulations reveal an asymmetric shift of the lattice constants at 80 K. The molecular mechanism of the structural transformation as identified from IR-spectroscopy and ab-initio molecular dynamics simulations is closely connected to the orientation of the [PH](2-) moieties which undergo a partial order-disorder phase transition.
dc.description.indexedbyWoS
dc.description.indexedbyScopus
dc.description.openaccessNO
dc.description.publisherscopeInternational
dc.description.volume188
dc.identifier.doi10.1016/j.ssc.2014.02.017
dc.identifier.eissn1879-2766
dc.identifier.issn0038-1098
dc.identifier.quartileQ3
dc.identifier.scopus2-s2.0-84896449080
dc.identifier.urihttp://dx.doi.org/10.1016/j.ssc.2014.02.017
dc.identifier.urihttps://hdl.handle.net/20.500.14288/16132
dc.identifier.wos335912800008
dc.keywordsAlkalimetal phoshides
dc.keywordsPhase transitions
dc.keywordsMolecular dynamics simulations
dc.keywordsIR spectroscopy
dc.languageEnglish
dc.publisherElsevier
dc.sourceSolid State Communications
dc.subjectPhysics
dc.subjectCondensed matter
dc.titleA profound analysis of Rb-2[PH] and Cs-2[PH] and the role of [PH](2-) ions during temperature-induced solid-solid phase transitions
dc.typeJournal Article
dspace.entity.typePublication
local.contributor.authorid0000-0001-5606-9101
local.contributor.authoridN/A
local.contributor.kuauthorSomer, Mehmet Suat
local.contributor.kuauthorSchnering, H. G. Von
local.publication.orgunit1College of Sciences
local.publication.orgunit2Department of Chemistry
relation.isOrgUnitOfPublication035d8150-86c9-4107-af16-a6f0a4d538eb
relation.isOrgUnitOfPublication.latestForDiscovery035d8150-86c9-4107-af16-a6f0a4d538eb

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