Investigation of group IVA elements combined with HAXPES and first-principles calculations

1st Conference on Light and Particle Beams in Materials Science 2013

物理学;材料科学

Cui, Y.-T.^1 ; Li, G.-L.^2 ; Oji, H.^1,3 ; Son, J.-Y.^1,3

Industrial Application Division, JASRI / Spring-8, 1-1-1 Kouto, Sayo-cho, Hyogo 679-5198, Japan^1

School of Physics and Engineering, Henan University of Science and Technology, Luoyang 471023, China^2

SPring-8 Service Co., Ltd., 1-20-5 Kouto, Shingu, Tatsuno, Hyogo 679-5165, Japan^3

关键词: Bulk sensitive;    First-principles calculation;    Hard X-ray photoemission spectroscopy;    Inelastic mean free path;    Photoionization cross section;    Photon energy;    Valance band spectra;    Valence band spectra;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/502/1/012007/pdf
DOI  :  10.1088/1742-6596/502/1/012007

学科分类：材料科学（综合）

来源: IOP

【 摘 要 】

The core level and valence band spectra of group IVA elements were investigated with hard x-ray photoemission spectroscopy (HAXPES) photon energy of 7.939 keV by bulk sensitive manner. The survey and valance band spectra were presented, relative peaks intensity are discussed by thinking about inelastic mean free path (IMFP) and photoionization cross section of photoelectrons (PICS). In order to understand bulk band structures, valence bands are compared with the calculated ones by considering PICS, IMFP and total energy resolution. The calculated results by GGA, HSE06 and GW0 methods are simply discussed by comparing with experiment spectra.