通过原子多重子模拟提取 CeB6 中 Ce-4f1 态的晶体电场水平

IF 2.6 3区物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY

Physica Scripta Pub Date : 2024-09-11 DOI:10.1088/1402-4896/ad764d

Yue Wang, Qi-Yuan Wu, Cheng Chen and Lin Miao

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引用次数: 0

摘要

晶体电场（CEF）对于确定镧系元素化合物的低能电子结构至关重要，因此对于理解强相关 4 f 电子的多体物理学也非常重要。为了确定本征相关材料 CeB6 及其衍生化合物的低能电子结构，人们做了很多努力。在本文中，我们对 CeB6 中的 Ce-4f1 态进行了原子多次元（AM）模拟，并将其与之前报道的共振非弹性 X 射线散射光谱（RIXS）直接拟合。模拟结果表明，从拉曼光谱和 RIXS 中提取的激发态能量的差异是晶体电场强度内在变化的结果，这可以通过剔除绝缘情况而考虑增强的 CEF 来调和。

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Extracting the crystal electric field levels of Ce-4f1 states in CeB6 by atomic multiplet simulations

The crystal electric field (CEF) is vital in defining the low-energy electronic structure of lanthanide compound, and thus very essential in understanding the many-body physics of the strongly correlated 4 f electrons. Many efforts have been made to determine the low-energy electronic structure of the intrinsically correlated material CeB6 and its derived compounds. In this paper, we performed atomic multiplet (AM) simulations on the Ce-4f1 states in CeB6 and directly fitted them with previously reported resonant inelastic x-ray scattering spectroscopy (RIXS). The simulation results suggest that the discrepancy of excitations energies extracted from Raman spectroscopy and RIXS is a result of intrinsic varied crystal electric field strength, which can be reconciled by considering the enhanced CEF by eliminating the insulating scenario.

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来源期刊

Physica Scripta 物理-物理：综合

CiteScore

3.70

自引率

3.40%

发文量

782

审稿时长

4.5 months

期刊介绍： Physica Scripta is an international journal for original research in any branch of experimental and theoretical physics. Articles will be considered in any of the following topics, and interdisciplinary topics involving physics are also welcomed: -Atomic, molecular and optical physics- Plasma physics- Condensed matter physics- Mathematical physics- Astrophysics- High energy physics- Nuclear physics- Nonlinear physics. The journal aims to increase the visibility and accessibility of research to the wider physical sciences community. Articles on topics of broad interest are encouraged and submissions in more specialist fields should endeavour to include reference to the wider context of their research in the introduction.