Phonon Softening and High-Pressure Low-Symmetry Phases of Cesium Iodide Metadata
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- Main Title Phonon Softening and High-Pressure Low-Symmetry Phases of Cesium Iodide
Author: Buongiorno Nardelli, MarcoCreator Type: PersonalCreator Info: University of North Texas; Scuola Internazionale Superiore di Studî Avanzati
Author: Baroni, StefanoCreator Type: PersonalCreator Info: Scuola Internazionale Superiore di Studî Avanzati
Author: Giannozzi, PaoloCreator Type: PersonalCreator Info: Scuola Normale Superiore
Name: American Physical SocietyPlace of Publication: [College Park, Maryland]
- Creation: 1992-08-17
- Content Description: Article on phonon softening and high-pressure low-symmetry phases of cesium iodide.
- Physical Description: 5 p.
- Keyword: Landau theory
- Keyword: phase transitions
- Keyword: Brillouin zone
- Journal: Physical Review Letters, 1992, College Park: American Physical Society, pp. 1069-1073
- Publication Title: Physical Review Letters
- Volume: 69
- Issue: 7
- Page Start: 1069
- Page End: 1073
- Peer Reviewed: True
Name: UNT Scholarly WorksCode: UNTSW
Name: UNT College of Arts and SciencesCode: UNTCAS
- Rights Access: public
- DOI: 10.1103/PhysRevLett.69.1069
- Archival Resource Key: ark:/67531/metadc270786
- Academic Department: Chemistry
- Academic Department: Physics
- Display Note: Copyright 1992 American Physical Society. The following article appeared in Physical Review Letters, 69:7, http://link.aps.org/doi/10.1103/PhysRevLett.69.1069
- Display Note: Abstract: The relative stability of various high-pressure phases of CsI is studied from first principles and analyzed using the Landau theory of phase transitions. We demonstrate that the cubic-to-orthorhombic transition recently observed to occur slightly below 20 GPa is driven by the softening of an acoustic phonon at the M point of the Brillouin zone. The coupling between this mode and anisotropic strain makes the transition slightly first order (with a volume variation of the order of 0.1%), and stabilizes the experimentally observed orthorhombic phase with respect to other competing symmetry-allowed structures.