Simple model for complex structures

Per Söderlind, J. M. Wills, and O. Eriksson
Phys. Rev. B 57, 1320 – Published 15 January 1998
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Abstract

The complex structures of the low-temperature phases of light actinides are analyzed in terms of a simple model involving Pettifor’s structural energy difference theorem in combination with an estimate of the structural dependence of the electrostatic interaction in the solid. With this simple model the complex structures of the actinides are contrasted to the simpler ones of the transition metals, and in agreement with observations we find that at ambient conditions the f-electron elements favor distorted structures, whereas d-electron metals “prefer” cubic or hcp structures.

  • Received 11 September 1997

DOI:https://doi.org/10.1103/PhysRevB.57.1320

©1998 American Physical Society

Authors & Affiliations

Per Söderlind

  • Department of Physics, Lawrence Livermore National Laboratory, Livermore, California 94550

J. M. Wills and O. Eriksson

  • Center for Materials Science and Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87544

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Vol. 57, Iss. 3 — 15 January 1998

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