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Hydrogen in actinides: electronic and lattice properties
Reports on Progress in Physics ( IF 18.1 ) Pub Date : 2023-04-05 , DOI: 10.1088/1361-6633/acbe50
Ladislav Havela 1 , Dominik Legut 2 , Jindřich Kolorenč 3
Affiliation  

Hydrides of actinides, their magnetic, electronic, transport, and thermodynamic properties are discussed within a general framework of H impact on bonding, characterized by volume expansion, affecting mainly the 5f states, and a charge transfer towards H, which influences mostly the 6d and 7s states. These general mechanisms have diverse impact on individual actinides, depending on the degree of localization of their 5f states. Hydrogenation of uranium yields UH2 and UH3, binary hydrides that are strongly magnetic due to the 5f band narrowing and reduction of the 5f-6d hybridization. Pu hydrides become magnetic as well, mainly as a result of the stabilization of the magnetic 5f 5 state and elimination of the admixture of the non-magnetic 5f 6 component. Ab-initio computational analyses, which for example suggest that the ferromagnetism of β-UH3 is rather intricate involving two non-collinear sublattices, are corroborated by spectroscopic studies of sputter-deposited thin films, yielding a clean surface and offering a variability of compositions. It is found that valence-band photoelectron spectra cannot be compared directly with the 5f n ground-state density of states. Being affected by electron correlations in the excited final states, they rather reflect the atomic 5f n −1 multiplets. Similar tendencies can be identified also in hydrides of binary and ternary intermetallic compounds. H absorption can be used as a tool for fine tuning of electronic structure around a quantum critical point. A new direction is represented by actinide polyhydrides with a potential for high-temperature superconductivity.

中文翻译:

锕系元素中的氢:电子和晶格特性

锕系元素的氢化物及其磁性、电子、传输和热力学性质在 H 对键合影响的一般框架内进行了讨论,其特征是体积膨胀,主要影响 5F状态,以及向 H 的电荷转移,这主要影响 6d和 7状态。这些一般机制对单个锕系元素有不同的影响,这取决于它们 5 的定位程度F状态。铀的氢化产生 UH 2和 UH 3,由于 5 而具有强磁性的二元氢化物F带变窄和减少 5F-6d杂交。Pu 氢化物也变得有磁性,主要是由于磁性 5 的稳定化F 5非磁性物质的状态与消除 5F 6个分量。从头开始计算分析,例如表明铁磁性β-UH 3相当复杂,涉及两个非共线子晶格,溅射沉积薄膜的光谱研究证实了这一点,产生了干净的表面并提供了组成的可变性。发现价带光电子能谱不能直接与 5fn _ 基态状态密度。受激发终态电子相关性的影响,它们更能反映原子 5fn _ -1 个多重峰。在二元和三元金属间化合物的氢化物中也可以发现类似的趋势。H 吸收可用作围绕量子临界点微调电子结构的工具。具有高温超导潜力的锕系元素多氢化物代表了一个新的方向。
更新日期:2023-04-05
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