Dynamical stabilization of the bcc phase in lanthanum and thorium by phonon-phonon interaction

Abstract

The recently developed self consistent {\it ab initio} lattice dynamical method (SCAILD) has been applied to the high temperature bcc phase of La and Th which are dynamically unstable at low temperatures. The bcc phase of these metals is found to be stabilized by phonon-phonon interactions. The calculated high temperature phonon frequencies for La are found to be in good agreement with the corresponding experimental data.

arXiv comment2 pages, 2 figures

References in corpus (1)

• Entropy driven stabilization of energetically unstable crystal structures explained from first principles theory

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