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High-pressure struc...
High-pressure structural transitions in Cm and Am0.5Cm0.5 binary alloy
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- Ahuja, Rajeev (författare)
- Uppsala universitet,KTH,Tillämpad materialfysik,Fysiska institutionen,CMT
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Li, Sa (författare)
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- Luo, Wei (författare)
- Uppsala universitet,KTH,Tillämpad materialfysik,Fysiska institutionen
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visa fler...
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- Johansson, Börje (författare)
- Uppsala universitet,KTH,Tillämpad materialfysik,Fysiska institutionen
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(creator_code:org_t)
- Informa UK Limited, 2006
- 2006
- Engelska.
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Ingår i: High Pressure Research. - : Informa UK Limited. - 0895-7959 .- 1477-2299. ; 26:4, s. 377-381
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- 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.
Ämnesord
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Nyckelord
- high pressure
- electronic structure
- total energy
- actinides
- 5f electrons
- brillouin-zone
- special points
- americium
- systems
- metal
- band
- gpa
- Physics
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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