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Theoretical study on the lattice dynamics and electron–phonon interaction of vanadium under high pressures

First-principles calculations are performed for the lattice dynamics and electron–phonon interaction of the body-centred-cubic (bcc) phase of solid vanadium. A remarkable phonon anomaly is found, i.e. frequencies of the transverse mode around a quarter of the Γ–H line show softening with increasing pressure and become imaginary at pressures higher than ∼130 GPa. The superconducting transition temperatures Tc of bcc vanadium estimated as a function of pressure increases at first linearly with pressure, and then the rate of increase of Tc is abated around 80 GPa. This calculated pressure dependence of Tc shows qualitatively the same behaviour as the experimental result.