X-ray absorption spectra of vanadium pentoxide (${\mathrm{V}}_2{\mathrm{O}}_5$) at the vanadium $K$ and $L$ edges are studied with multiple scattering calculations and good agreement with experiment is obtained when the full-potential and multichannel extensions of multiple scattering theory are used. The spectral shapes are analyzed in terms of the local electronic structure at the vanadium sites and they reveal strong anisotropy and final-state correlation effects. The strong polarization dependence of the spectra is explained by the low-symmetry ligand field and vanadyl bonding. The effect of oxygen vacancies, the major intrinsic defect type of ${\mathrm{V}}_2{\mathrm{O}}_5$, is investigated. Clear spectral changes are found for vanadium atoms next to an oxygen vacancy, which may serve as a fingerprint of defects in electron energy loss spectroscopy.

中文翻译：

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原始和有缺陷的五氧化二钒在x射线吸收光谱中的多体和各向异性效应

五氧化二钒的X射线吸收光谱${\mathrm{V}}_2{\mathrm{Ø}}_5$）在钒 $ķ$ 和 $\mathrm{大号}$利用多重散射理论对边缘进行了研究，当采用多重散射理论的全势和多通道扩展时，与实验结果吻合良好。根据钒位点上的局部电子结构分析了光谱形状，它们显示出很强的各向异性和最终态相关效应。光谱的强偏振依赖性由低对称配体场和钒基键合解释。氧空位的影响，主要的内在缺陷类型${\mathrm{V}}_2{\mathrm{Ø}}_5$，被调查。在氧空位旁发现钒原子有明显的光谱变化，这可以用作电子能量损失光谱学中缺陷的指纹。