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High pressure structural transitions in Cm metal
KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Tillämpad materialfysik.
KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Tillämpad materialfysik.
KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Tillämpad materialfysik.
2006 (engelsk)Inngår i: Mater Res Soc Symp Proc, 2006, s. 247-254Konferansepaper, Publicerat paper (Fagfellevurdert)
Abstract [en]

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.

sted, utgiver, år, opplag, sider
2006. s. 247-254
Serie
Materials Research Society Symposium Proceedings, ISSN 0272-9172 ; 893
Emneord [en]
Antiferromagnetism, Electronic structure, Phase transitions, Stability, Antiferromagnetic state, Spin polarization, Transition pressures, Curium
HSV kategori
Identifikatorer
URN: urn:nbn:se:kth:diva-156341ISI: 000237224800030Scopus ID: 2-s2.0-33646428108ISBN: 1558998470 (tryckt)ISBN: 9781558998476 (tryckt)OAI: oai:DiVA.org:kth-156341DiVA, id: diva2:766669
Konferanse
2005 Materials Research Society Fall Meeting, 28 November-1 December 2005, Boston, MA, USA
Merknad

QC 20141128

Tilgjengelig fra: 2014-11-28 Laget: 2014-11-26 Sist oppdatert: 2014-11-28bibliografisk kontrollert

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