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Pressure induced phase transitions in AmCm alloy

Published online by Cambridge University Press:  26 February 2011

Sa Li,
Rajeev Ahuja and
Borje Johansson
Sa Li
Affiliation:
sli2@vcu.edu, Virginia Commonwealth University, 1020 W. Main Street, Richmond, VA, 23284, United States, +1-804-828-2770
Rajeev Ahuja
Affiliation:
rajeev@fysik.uu.se, Uppsala University, Department of Physics, Sweden
Borje Johansson
Affiliation:
borje.johansson@fysik.uu.se, Royal Institute of Technology, Department of Materials Science and Engineering, Sweden
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Abstract

We have studied the crystal structure of the AmCm binary alloy under high pressure by means of first-principles self-consistent total-energy calculations using the generalized gradient approximation (GGA) for the density functional theory (DFT). The virtual crystal approximation (VCA) is used for the description of the alloy system. In the present study, we investigated the double hexagonal (P63/mmc) structure, the face centered cubic (Fm3m) structure, the face-centered orthorhombic (Fddd) structure and the primitive orthorhombic (Pnma) structure for the AmCm alloy. Antiferromagnetic calculations have been compared with ferromagnetic calculations for all these phases. Our results are in general good agreement with recent experiment performed by Lindbaum et al. [J. Phys.: Condens. Matter. 15, S2297 (2003)].

Keywords

actinidephase transformationmagnetic properties

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References

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