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Article overview
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New Pseudo-Phase Structure for $alpha$-Pu | J. Bouchet
; R. C. Albers
; M. D. Jones
; G. Jomard
; | Date: |
8 May 2003 | Subject: | cond-mat | Abstract: | In this paper we propose a new pseudo-phase crystal structure, based on an orthorhombic distortion of the diamond structure, for the ground-state $alpha$-phase of plutonium. Electronic-structure calculations in the generalized-gradient approximation give approximately the same total energy for the two structures. Interestingly, our new pseudo-phase structure is the same as the Pu $gamma$-phase structure except with very different b/a and c/a ratios. We show how the contraction relative to the $gamma$ phase, principally in the $z$ direction, leads to an $alpha$-like structure in the [0,1,1] plane. This is an important link between two complex structures of plutonium and opens new possibilities for exploring the very rich phase diagram of Pu through theoretical calculations. | Source: | arXiv, cond-mat/0305148 | Services: | Forum | Review | PDF | Favorites |
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