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High Pressure Structural transitions in Cm metal

Published online by Cambridge University Press:  26 February 2011

Rajeev Ahuja ,
Sa Li  and
Börje Johansson
Rajeev Ahuja
Affiliation:
[email protected], Uppsala University, Physics, Box 530, Uppsala, Uppsala, 751 21, Sweden
Sa Li
Affiliation:
[email protected]
Börje Johansson
Affiliation:
[email protected]
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Abstract

The high pressure behaviour of Cm metal is investigated theoretically using ab initio electronic structure methods. Our calculations reproduce the structural phase transitions which are obsereved in recent experiment performed by Heatman et al. [Science 309, 110 (2005)]. Calculated transition pressures are in reasonable agreement with the experiment. Calculations performed in antiferromagnetic state is essential to reproduce the stability of Cm-III phase. Thus stability of Cm-III phase is related to the spin polarization of 5f electrons.

Keywords

actinidecrystallographic structuremetal
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 893: Symposium JJ – Actinides 2005 – Basic Science, Applications and Technology , 2005 , 0893-JJ06-05
Copyright
Copyright © Materials Research Society 2006

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References

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