High pressure structural transitions in Cm metal
2006 (English)In: Mater Res Soc Symp Proc, 2006, 247-254 p.Conference paper (Refereed)
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 experimental values. Calculations performed for an antiferromagnetic state is essential to reproduce the stability of Cm-III phase. Thus, the stability of the Cm-III phase is related to the spin polarization of its 5f electrons.
Place, publisher, year, edition, pages
2006. 247-254 p.
, Materials Research Society Symposium Proceedings, ISSN 0272-9172 ; 893
Antiferromagnetism, Electronic structure, Phase transitions, Stability, Antiferromagnetic state, Spin polarization, Transition pressures, Curium
IdentifiersURN: urn:nbn:se:kth:diva-156341ISI: 000237224800030ScopusID: 2-s2.0-33646428108ISBN: 1558998470ISBN: 9781558998476OAI: oai:DiVA.org:kth-156341DiVA: diva2:766669
2005 Materials Research Society Fall Meeting, 28 November-1 December 2005, Boston, MA, USA
QC 201411282014-11-282014-11-262014-11-28Bibliographically approved