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          Institute: MPI für Festkörperforschung     Collection: FKF Publikationen 2006     Display Documents



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ID: 306100.0, MPI für Festkörperforschung / FKF Publikationen 2006
Stability of alkali-metal oxides as a function of pressure: Theoretical calculations
Authors:Čančarević, Ž.; Schön, J. C.; Jansen, M.
Language:English
Date of Publication (YYYY-MM-DD):2006
Title of Journal:Physical Review B
Volume:73
Issue / Number:22
Sequence Number of Article:224114
Review Status:Peer-review
Audience:Not Specified
Abstract / Description:We investigate the regions of thermodynamic stability of possible
modifications of the alkali oxides M2O as a function of pressure and
type of alkali metal (M=Li,Na,K,Rb,Cs). The results are in good
agreement with experiment at standard pressure, and we find that at
elevated pressures, all systems should exhibit a transition from the
experimentally observed modifications (CaF2- and CdCl2-type) to one or
more high-pressure modifications exhibiting structures belonging to the
extended cotunnite family, e.g., the high-pressure (hp)-BaF2-, the
PbCl2-, the gamma-US2-, or the Theta-Ni2Si-type. Metastable
modifications that would be stable at sufficiently large negative
pressures exhibit the CaCl2- or the CdCl2-structure type.
External Publication Status:published
Document Type:Article
Communicated by:N. N.
Affiliations:MPI für Festkörperforschung
External Affiliations:Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany.
Identifiers:ISI:000238696300029 [ID No:1]
ISSN:1098-0121 [ID No:2]
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