Abstract
We have performed ab initio calculations for a new high pressure phase ofCa-VI between 158 and 180 GPa. The study includes elastic parameters ofmonocrystalline and polycrystalline aggregates, electronic band structure, latticedynamics and superconductivity. The calculations show that the orthorhombicPnma structure is mechanically and dynamically stable in the pressure range studied. Thestructure is superconducting over the entire pressure range and the calculatedTc (24.7 Kwith μ* = 0.1) is maximum at 172 GPa, which is close to the experimentally observed value of 25 K at161 GPa.
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