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High-pressure structural transitions in Cm and Am0.5Cm0.5 binary alloy
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: High Pressure Research, ISSN 0895-7959, E-ISSN 1477-2299, Vol. 26, nr 4, s. 377-381Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

The high-pressure behaviour of Cm and Am0.5Cm0.5 binary alloy is investigated theoretically using ab initio electronic structure methods. Our calculations reproduce the structural phase transitions, which are observed in recent experiment performed by Heathman et al. [S. Heathman, R.G. Haire, I Le Bihan et al., Science 309 110 (2005)] and Lindbaum et al. [A. Lindbaum, S. Heathman, T. Le Bihan et al., J. Phys: Condens. Matter 15 S2297 (2003)]. Calculated transition pressures are in reasonable agreement with the experimental values. Calculations performed for an antiferromagnetic state are essential to reproduce the stability of Cm-III phase.

sted, utgiver, år, opplag, sider
2006. Vol. 26, nr 4, s. 377-381
Emneord [en]
high pressure, electronic structure, total energy, actinides, 5f electrons, brillouin-zone, special points, americium, systems, metal, band, gpa
HSV kategori
Identifikatorer
URN: urn:nbn:se:kth:diva-16258DOI: 10.1080/08957950601105200ISI: 000243942800014Scopus ID: 2-s2.0-77952799383OAI: oai:DiVA.org:kth-16258DiVA, id: diva2:334300
Merknad
QC 20100525 QC 20110929. Conference: 44th Annual Meeting of the European-High-Pressure-Research-Group Meeting (EHPRG 44). Prague, CZECH REPUBLIC. SEP 04-08, 2006 Tilgjengelig fra: 2010-08-05 Laget: 2010-08-05 Sist oppdatert: 2017-12-12bibliografisk kontrollert

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