The results of self-consistent linearized augmented-plane-wave calculations of the ground-state properties of fcc and bcc lanthanum are reported. It is found that there is considerable sensitivity in the calculated structural properties to the particular exchange-correlation potential used. Band structures and electronic densities of states for both structures are reported. The fcc-bcc phase transition is discussed in terms of the calculated energetics and electronic structures.

• Received 22 July 1988

DOI:https://doi.org/10.1103/PhysRevB.39.4921