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

M. I. Katsnelson S- P Rudin; O. Eriksson; P Andersson; P. Souvatzis; T. Bjorkman

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

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arxiv 0903.4247 v1 pith:CEABEPQC submitted 2009-03-25 cond-mat.stat-mech cond-mat.mtrl-sci

P. Souvatzis , T. Bjorkman , O. Eriksson , P Andersson , M. I. Katsnelson S- P Rudin This is my paper · ORCID

classification cond-mat.stat-mechcond-mat.mtrl-sci

keywords phasedynamicalfoundhighphonon-phonontemperatureagreementapplied

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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.

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