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

机译:对IVA元素的调查与HAXPE和第一原理计算相结合

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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.
机译:通过散装敏感方式研究了IVA元素组IVA元素的核心水平和价带光谱(HAXPES)光子能量为7.939keV。提出了测量和衡价频带光谱,通过关于光电子(PICS)的非弹性均值的自由路径(IMFP)和光离移横截面来讨论相对峰强度。为了理解散频带结构,通过考虑PICS,IMFP和总能量分辨率,将价带与计算的频段进行比较。通过与实验光谱相比,简单地讨论了GGA,HSE06和GW0方法的计算结果。

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