First Principles Calculation of Localization of 5f Electrons in Bulk Alpha-Plutonium(Condensed matter : electronic structure and electrical, magnetic, and optical properties)

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概要

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• Full-potential linearized augmented plane-wave calculations indicate that the antiferromagnetic states including spin-orbit coupling effect is the ground state of bulk α-Pu with the atomic volume of 128.9a.u.^3 and bulk modulus of 58.8 GPa, which are in good agreements with experimental values in the literature. Density of states shows that the majority of 5f electrons of bulk α-Pu are above the Fermi level, which is different from our previous result that the 5f electrons of bulk δ-Pu are mainly located below the Fermi level. It implies that 5f electrons of bulk α-Pu might be probably on the delocalized side of the localization-delocalization transition.

• 社団法人日本物理学会の論文
• 2007-11-15

著者

• Gong Hao

  State Key Lab Of Powder Metallurgy Central South University:physics Department University Of Texas A

• RAY Asok

  Physics Department, University of Texas at Arlington

• Ray Asok

  Physics Department University Of Texas At Arlington

関連論文

• First Principles Calculation of Localization of 5f Electrons in Bulk Alpha-Plutonium(Condensed matter : electronic structure and electrical, magnetic, and optical properties)
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