Surface energy and work function of the light actinides

J. Kollár, L. Vitos, H. L. Skriver

Research output: Contribution to journalArticle

44 Citations (Scopus)


We have calculated the surface energy and work function of the light actinides Fr, Ra, Ac, Th, Pa, U, Np, and Pu by means of a Green's-function technique based on the linear-muffin-tin-orbitals method within the tight-binding representation. In these calculations we apply an energy functional which combines the kinetic energy calculated within the atomic-sphere approximation with Coulomb- and exchange-correlation-energy terms calculated by means of the complete nonspherically symmetric charge density derived from the atomic-sphere potential within nonoverlapping and space-filling cells. The calculated surface energies and work functions are in good agreement with the limited experimental data.

Original languageEnglish
Pages (from-to)11288-11292
Number of pages5
JournalPhysical Review B
Issue number16
Publication statusPublished - Jan 1 1994


ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this