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Using fully minimized fundamental measure functionals, we investigate freeenergies, vacancy concentrations and density distributions for bcc, fcc and hcphard-sphere crystals. Results are complemented by an approach due to Stillingerwhich is based on expanding the crystal partition function in terms of thenumber n of free particles while the remaining particles are frozen at theirideal lattice positions. The free energies of fcc/hcp and one branch of bccagree well with Stillinger's approach truncated at n=2. A second branch of bccsolutions features rather spread-out density distributions around lattice sitesand large equilibrium vacancy concentrations and is presumably linked to theshear instability of the bcc phase. Within fundamental measure theory and theStillinger approach (n=2), hcp is more stable than fcc by a free energy perparticle of about 0.001 k_{B}T. In previous simulation work, the reversesituation has been found which can be rationalized in terms of effects due to acorrelated motion of at least 5 particles in the Stillinger picture.

Stable and metastable hard sphere crystals in Fundamental Measure Theory