Bulk electronic structure of lanthanum hexaboride ( LaB6 ) by hard x-ray angle-resolved photoelectron spectroscopy

Abstract

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.