硬x射线角分辨光电子能谱法研究六硼化镧(LaB6)的体电子结构

A. Rattanachata, L. Nicolaï, H. Martins, G. Conti, M. Verstraete, M. Gehlmann, S. Ueda, Keisuke L. I. Kobayashi, I. Vishik, C. Schneider, C. Fadley, A. Gray, J. Minár, S. Nemšák
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引用次数: 3

摘要

我们利用软硬x射线光发射光谱研究了六硼化镧的体电子结构,测量了核能级和角分辨价带光谱。我们将La 3d岩心能级谱与聚类模型计算进行了比较,以了解块状岩心孔的筛分效果。结果表明,与屏蔽较差的主峰相比,屏蔽良好的La 3d峰具有较低的结合能,并且这些峰之间的相对强度取决于La和B原子之间杂化的强度。我们发现,在软x射线下可以忽略不计的反冲效应,在动能较高的轻元素(如硼)中变得突出,但在重核(如镧)中仍然可以忽略不计。此外,我们报道了用软硬x射线角分辨光发射光谱(HARPES)测定六硼化镧的块状带结构。我们将HARPES实验结果与自由电子末态计算和更精确的一步光发射理论(包括矩阵元素和声子激发效应)进行了比较。ARPES实验数据的特征与理论计算结果的吻合是显著的。此外,我们考虑了声子激发的性质和大小,以便解释在不同温度和激发能下测量的HARPES实验数据。我们证明了光发射一步理论和HARPES实验提供了目前唯一能够在实验和理论上探测稀土六硼化物和强相关材料的真正块状电子带结构的方法。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Bulk electronic structure of lanthanum hexaboride ( LaB6 ) by hard x-ray angle-resolved photoelectron spectroscopy
We investigate the bulk electronic structure of lanthanum hexaboride using tender-hard x-ray photoemission spectroscopy, measuring both core-level and angle-resolved valence-band spectra. We compare the La 3d core level spectrum to cluster model calculations in order to understand the bulk-like core-hole screening effects. The results show that the La 3d well-screened peak is at a lower binding energy compared to the main poorly-screened peak and the relative intensity between these peaks depends on how strong the hybridization is between La and B atoms. We show that the recoil effect, negligible in the soft x-ray regime, becomes prominent at higher kinetic energies for lighter elements, such as boron, but is still negligible for heavy nuclei, such as lanthanum. In addition, we report the bulk-like band structure of lanthanum hexaboride determined by tender-hard x-ray angle-resolved photoemission spectroscopy (HARPES). We compare HARPES experimental results to the free-electron final-state calculations and to the more precise one-step photoemission theory including matrix element and phonon excitation effects. The agreement between the features present in the experimental ARPES data and the theoretical calculations is remarkable. In addition, we consider the nature and the magnitude of phonon excitations in order to interpret HARPES experimental data measured at different temperatures and excitation energies. We demonstrate that one step theory of photoemission and HARPES experiments provide, at present, the only approach capable of probing, both experimentally and theoretically, true bulk-like electronic band structure of rare-earth hexaborides and strongly correlated materials.
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