Residual‐density mapping and site‐selective determination of anomalous scattering factors to examine the origin of the Fe K pre‐edge peak of magnetite

The electron‐density distribution and the contribution to anomalous scattering factors for Fe ions in magnetite have been analyzed by X‐ray resonant scattering at the pre‐edge of Fe K absorption. Synchrotron X‐ray experiments were carried out using a conventional four‐circle diffractometer in the right‐handed circular polarization. Difference‐Fourier synthesis was applied with a difference in structure factors measured on and off the pre‐edge (E_on = 7.1082 keV, E_off = 7.1051 keV). Electron‐density peaks due to X‐ray resonant scattering were clearly observed for both A and B sites. The real part of the anomalous scattering factor f′ has been determined site‐independently, based on the crystal‐structure refinements, to minimize the squared residuals at the Fe K pre‐edge. The f′ values obtained at E_on and E_off are ?7.063 and ?6.682 for the A site and ?6.971 and ?6.709 for the B site, which are significantly smaller than the values of ?6.206 and ?5.844, respectively, estimated from the Kramers–Kronig transform. The f′ values at E_on are reasonably smaller than those at E_off. Our results using a symmetry‐based consideration suggest that the origin of the pre‐edge peak is Fe ions occupying both A and B sites, where p–d mixing is needed with hybridized electrons of Fe in both sites overlapping the neighbouring O atoms.     

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应用电子和多光子集团非弹性碰撞模型和冷等离子体模型，研究了飞秒强激光与线性等离子体发生多光子非线性Compton散射时，散射激光与入射激光形成的飞秒耦合激光场对线性等离子体层中光场和电子密度分布的影响。研究发现，在耦合激光的有质动力作用下，电子密度分布和离子密度分布比Compton散射前的偏离更加严重，电子密度的变化比离子密度的变化更快，产生的静电场更强。即使耦合激光场非常弱，电子的运动仍表现出相对论效应，仍有静电场存在。