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The lattice dynamics of bcc and fcc W is studied as a function of pressure using the density-functional linear-response theory. At high pressures and T0ex0ex=0ex0ex0 K, bcc W has a higher enthalpy than the fcc and hcp phases and it develops phonon softening anomalies related to this thermodynamic instability; however, it remains dynamically stable. In contrast, the widely unstable shear modes of fcc W at zero pressure (when HWᶠᶜᶜ>HWᵇᶜᶜ) stabilize with increasing pressure before HWᶠᶜᶜ<HWᵇᶜᶜ. Hence the thermodynamic and dynamic instabilities are uncorrelated.
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Einarsdotter et al. (1997) studied this question.
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