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Nonresonant inelastic x-ray scattering from actinides and rare earths

机译：act系元素和稀土元素的非共振非弹性X射线散射

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摘要

Calculated multiplet spectra are presented for the electric-multipole transitions in nonresonant inelastic x-ray scattering (NIXS) at the O_(4,5) edges of actinides and the N_(4,5) edges of rare earths. The multiplet structure is characteristic for the / count as well as for the angular momentum coupling. As a remarkable peculiarity, the calculations for the actinide O_(4,5) edge show that the higher multipole spectra resemble jj coupling, whereas the dipole spectrum is close to LS coupling. The exchange integral G~1(5d,5f) is responsible for a shift of ~15 eV of the dipole spectrum to higher energy. This high energy is conserved by a sum rule for the average energy of the accessible final states. In the higher multipole spectra, where the allowed final states are different, the splitting by the 5d spin-orbit interaction exceeds that of the electrostatic interaction. This leads to a distinct spin-orbit-split doublet structure, with a broad first peak and a narrower second peak. According to the spin-orbit sum rule, the 5/ spin-orbit interaction per hole is linearly related to the core-level branching ratio, where the proportionality factor is opposite in sign for the k = 3 and 5 spectra. Compared to the k = 3 spectrum, the it = 5 spectrum has overall a lower intensity in the low-energy region but a higher intensity in the high-energy region, especially for the heavier elements in the series. The NIXS at the rare-earth N_(4,5) edge is quite different since the electrostatic and core spin-orbit splitting in the k = 3 and 5 spectra are of similar size. The pre-edge region of the rare-earth spectra, where the linewidth is narrow, shows a rich multiplet structure that depends strongly on the initial-state / value.
机译：提出了multiple系元素O_（4,5）边缘和稀土N_（4,5）边缘非共振非弹性X射线散射（NIXS）中电-多极跃迁的计算多重谱。多重结构是/计数以及角动量耦合的特征。作为显着的特点，for系元素O_（4,5）边缘的计算表明，较高的多极谱类似于jj耦合，而偶极谱接近LS耦合。交换积分G〜1（5d，5f）负责将偶极子谱的〜15 eV转移到更高的能量。对于可访问的最终状态的平均能量，通过求和规则可以保存此高能量。在较高的多极谱中，允许的最终状态不同，通过5d自旋轨道相互作用的分裂超过了静电相互作用的分裂。这导致独特的自旋轨道分裂双峰结构，具有宽的第一峰和较窄的第二峰。根据自旋轨道求和规则，每个孔的5 /自旋轨道相互作用与核能级分支比线性相关，其中对于k = 3和5光谱，比例因子的符号相反。与k = 3光谱相比，it = 5光谱在低能量区域总体上具有较低的强度，而在高能量区域中总体上具有较高的强度，尤其是对于该系列中较重的元素。稀土N_（4,5）边缘的NIXS完全不同，因为在k = 3和5光谱中的静电和核心自旋轨道分裂具有相似的大小。线宽较窄的稀土光谱的前缘区域显示出丰富的多重峰结构，强烈依赖于初始状态/值。

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