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• W2012306761 startingPage "3624" @default.
• W2012306761 abstract "The phonon instabilities of cesium related to its pressure-induced $mathrm{bcc}ensuremath{-}mathrm{to}ensuremath{-}{mathrm{fcc}}^{(1)}ensuremath{-}mathrm{to}ensuremath{-}{mathrm{fcc}}^{(2)}$ phase transitions are studied using the density-functional perturbation theory. It is found that at low pressure, both the bcc and fcc Cs are dynamically stable, but fcc is thermodynamically metastable. The high-pressure phase transitions of Cs from bcc to ${mathrm{fcc}}^{(1)}$ and from ${mathrm{fcc}}^{(1)}$ to ${mathrm{fcc}}^{(2)}$ are related to the phonon instabilities of the long-wavelength acoustic modes resulted from the negative tetragonal shear elastic constant ${C}^{ensuremath{'}}=frac{1}{2}{(C}_{11}ensuremath{-}{C}_{12}).$ During the ${mathrm{fcc}}^{(1)}ensuremath{-}mathrm{to}ensuremath{-}{mathrm{fcc}}^{(2)}$ phase transition, all the phonon modes become soft, making it the most striking feature of this isostructural phase transition." @default.
• W2012306761 created "2016-06-24" @default.
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• W2012306761 date "2000-08-01" @default.
• W2012306761 modified "2023-10-02" @default.
• W2012306761 title "Phonon instabilities in high-pressure bcc-fcc and the isostructural fcc-fcc phase transitions of Cs" @default.
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• W2012306761 doi "https://doi.org/10.1103/physrevb.62.3624" @default.
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