Ground-state properties of f band metals: lanthanum, cerium and thorium

Published under licence by IOP Publishing Ltd
, , Citation D Glotzel 1978 J. Phys. F: Met. Phys. 8 L163 DOI 10.1088/0305-4608/8/7/004

This article is corrected by 1978 J. Phys. F: Met. Phys. 8 L205

0305-4608/8/7/L163

Abstract

Self-consistent relativistic bandstructure calculations for face centred cubic lanthanum, cerium and thorium have been performed using the linear muffin-tin orbital (LMTO) method and the local spin density (LSD) approximation for exchange and correlation. Results are given for equilibrium distance, bulk modulus, spin susceptibility and the electron-phonon matrix element in each case. A significant contribution of f partial waves to the crystal bonding for all three metals has been found. At the atomic volume corresponding to the gamma phase, cerium exhibits a ferromagnetic instability.

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