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arXiv 0903.4247cond-mat.stat-mechcond-mat.mtrl-sci
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镧和钍中bcc相的声子-声子相互作用动力学稳定化

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

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

摘要:

本文应用最近发展起来的自洽{ \it ab initio}晶格动力学方法(SCAILD)研究了在低温下不稳定的La和Th的高温bcc相。这些金属的体心立方相被发现是稳定的声子-声子相互作用。计算的La的高温声子频率与相应的实验数据符合得很好。

英文摘要:

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.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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