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New Pseudophase Structure for α-Pu

机译:α-PU的新假期基结构

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Pure plutonium is an exotic metal that is poorly understood. The α-Pu phase (zero-temperature ground state) is believed to have mainly itinerant 5f electrons. However, δ phase (fcc) is believed to be in neither limit (neither completely itinerant nor localized), that we may describe as partially localized. How to understand this phase transformation, with its associated large volume per atom expansion, has been an exciting topic of discussion within band-structure theory and related correlated-electron extensions to it for several decades now. A correct theory should get both limits right, and is a strong constraint on the theoretical approaches that are used. The problem with including the α phase is its complicated crystal structure, which is monoclinic and involves 16 atoms per unit cell.
机译:纯粹的钚是一种很难理解的异国风格。据信α-PU相(零温度接地状态)主要具有溜进的5F电子。然而,据信Δ相(FCC)既不是限制(既完全巡回也不是本地化),我们可以描述为部分局部化。如何理解该阶段转换,其相关的大容量较大,这是乐队结构理论中讨论的令人兴奋的话题,现在几十年来与其相关的相关电子延长。正确的理论应该对其进行限制,并且是对所使用的理论方法的强制限制。包括α相的问题是其复杂的晶体结构,其是单斜晶体的并且涉及每单位细胞16个原子。

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