论文标题
硬X射线角度分辨光谱法的灯笼六菜木(LAB6)的散装电子结构(LAB6)
Bulk Electronic Structure of Lanthanum Hexaboride (LaB6) by Hard X-ray Angle-Resolved Photoelectron Spectroscopy
论文作者
论文摘要
在过去的十年中,稀有六角核因其在凝结物理学中的基本重要性及其在高级技术领域中的应用而进行了研究。在这些化合物中,实验室$ _6 $有一个特殊的位置,是传统的D波段金属,没有其他F-带。在本文中,我们使用硬X射线光发射光谱学研究了实验室$ _6 $的批量电子结构,测量了核心水平和角度分辨率波段光谱。通过将LA 3D核心水平光谱与群集模型计算进行比较,我们确定了与主要较差的峰相比,在较低的结合能层面上,屏蔽了峰值。这些峰之间的相对强度取决于LA和B原子之间杂交的强度。我们表明,在软X射线方案中可忽略的后坐力在较轻的动能上对于较轻的元素(例如硼)而变得突出,但对于诸如Lanthanum之类的重元素(例如,硼龙)仍然可以忽略不计。此外,我们报告了由硬X射线角度分辨光发射光谱(Harpes)确定的实验室$ _6 $的散装带状结构。我们通过自由电子最终状态计算以及更精确的一步光发射理论(包括矩阵元素和声子激发效应)来解释竖琴实验结果。此外,我们考虑了在不同温度和激发能量下测量的竖琴实验数据中声子激发的性质和大小。我们证明,光发射和竖琴实验的一个步骤理论目前提供了唯一能够探测稀有地球六角核和强相关材料的真正散装电子带结构的唯一方法。
In the last decade rare-earth hexaborides have been investigated for their fundamental importance in condensed matter physics, and for their applications in advanced technological fields. Among these compounds, LaB$_6$ has a special place, being a traditional d-band metal without additional f- bands. In this paper we investigate the bulk electronic structure of LaB$_6$ using hard x-ray photoemission spectroscopy, measuring both core-level and angle-resolved valence-band spectra. By comparing La 3d core level spectra to cluster model calculations, we identify well-screened peak residing at a lower binding energy compared to the main poorly-screened peak; 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 elements, such as lanthanum. In addition, we report the bulk-like band structure of LaB$_6$ determined by hard x-ray angle-resolved photoemission spectroscopy (HARPES). We interpret HARPES experimental results by the free-electron final-state calculations and by the more precise one-step photoemission theory including matrix element and phonon excitation effects. In addition, we consider the nature and the magnitude of phonon excitations in 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 true bulk-like electronic band structure of rare-earth hexaborides and strongly correlated materials.