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Angle dependent soft-x-ray absorption spectroscopy of V2O5

机译:V2O5的角度相关软X射线吸收光谱

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摘要

We have measured the V 2p(3/2) and O Is X-ray absorption spectra of single-crystal V2O5 and compared them with linear-combination-of-atomic-orbitals density-of-states (DOS) calculations. The spectra change dramatically with incident angle and the use of polarized light and a single crystal limits the number of transitions possible, revealing spectral features that cannot be resolved using polycrystals (angle integrated). The measured O 1s and V 2p(3/2) spectra agree with the projected unoccupied O 2p and V 3d DOSs respectively, indicating that atomic effects alone cannot adequately describe the absorption spectrum, but that solid-state effects, including V-O hybridization, must be included.
机译:我们已经测量了单晶V2O5的V 2p(3/2)和Ois X射线吸收光谱,并将它们与原子轨道密度线性组合(DOS)计算进行了比较。光谱随入射角而变化,并且使用偏振光和单晶限制了可能的跃迁数量,从而揭示了无法使用多晶(角度积分)解析的光谱特征。测得的O 1s和V 2p(3/2)光谱分别与预计的未占据的O 2p和V 3d DOS一致,表明仅原子效应不能充分描述吸收光谱,但固态效应(包括VO杂交)必须被包括在内。

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