Calculated Bulk Properties of the Actinide Metals

H. L. Skriver, O. K. Andersen, and B. Johansson
Phys. Rev. Lett. 41, 42 – Published 3 July 1978
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Abstract

Self-consistent relativistic calculations of the electronic properties for seven actinides (Ac-Am) have been performed using the linear muffin-tin orbitals method within the atomic-sphere approximation. Exchange and correlation were included in the local spindensity scheme. The theory explains the variation of the atomic volume and the bulk modulus through the 5f series in terms of an increasing 5f binding up to plutonium followed by a sudden localization (through complete spin polarization) in americium.

  • Received 18 April 1978

DOI:https://doi.org/10.1103/PhysRevLett.41.42

©1978 American Physical Society

Authors & Affiliations

H. L. Skriver

  • Research Establishment, Risø, Roskilde, Denmark

O. K. Andersen*

  • Département de Physique de la Matière Condensée, Université de Genève, 1211 Genève 4, Switzerland

B. Johansson

  • Department of Physics and Measurement Technology, Linköping University, S-581 83 Linköping, Sweden

  • *Permanent address: Department of Electrophysics, Technical University, Lyngby, Denmark.
  • Permanent address: Department of Physics, FOA 2, S-104 50 Stockholm, Sweden.

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Vol. 41, Iss. 1 — 3 July 1978

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