Figure 9

Variation of the enthalpy difference with respect to BCC phase as a function of the rhombohedral deformation parameter δ when the Fermi level being shifted up or down at a pressure of 211 GPa.
Inset: Calculated differential charge density between Δ = −0.77% and Δ = 0. Here Δ is the percentage of the total charge that are removed from (or added to) the system for the purpose to shift the Fermi level.