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Phonons of the anomalous element cerium.

Abstract：

:Many physical and chemical properties of the light rare-earths and actinides are governed by the active role of f electrons, and despite intensive efforts the details of the mechanisms of phase stability and transformation are not fully understood. A prominent example which has attracted a lot of interest, both experimentally and theoretically over the years is the isostructural γ - α transition in cerium. We have determined by inelastic X-ray scattering, the complete phonon dispersion scheme of elemental cerium across the γ → α transition, and compared it with theoretical results using ab initio lattice dynamics. Several phonon branches show strong changes in the dispersion shape, indicating large modifications in the interactions between phonons and conduction electrons. This is reflected as well by the lattice Grüneisen parameters, particularly around the X point. We derive a vibrational entropy change ΔS(γ-α)(vib) ≈ (0.33+/-0.03)k(B), illustrating the importance of the lattice contribution to the transition. Additionally, we compare first principles calculations with the experiments to shed light on the mechanism underlying the isostructural volume collapse in cerium under pressure.

journal_name

Proc Natl Acad Sci U S A

journal_title

Proceedings of the National Academy of Sciences of the United States of America

authors

Krisch M,Farber DL,Xu R,Antonangeli D,Aracne CM,Beraud A,Chiang TC,Zarestky J,Kim DY,Isaev EI,Ahuja R,Johansson B

doi

10.1073/pnas.1015945108

subject

Has Abstract

pub_date

2011-06-07 00:00:00

pages

9342-5

issue

23

eissn

0027-8424

issn

1091-6490

pii

1015945108

journal_volume

108

pub_type

杂志文章

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