Theory of X-ray natural circular dichroism.
Theory of X-ray natural circular dichroism.
复制标题
X射线自然圆二色性理论。
DOI：
10.1107/s090904959801680x
复制
发表时间：
1999
影响因子：
2.5
通讯作者：
A. Rogalev
中科院分区：
文献类型：
--
作者：
C. Brouder;C. Natoli;P. Sainctavit;J. Goulon;C. Goulon;A. Rogalev
本文提出了一种理论方法来计算最近发现的X射线范围内的自然圆二色性（XNCD）。XNCD是由于电偶极和四极跃迁的干扰。基本公式将XNCD表示为奇数次张量。确定了与XNCD相容的晶体对称性。求和规则推导出XNCD的奇数和偶数轨道上的吸收网站在基态的混合。本文提出了XNCD的多重散射理论。结果表明，XNCD对团簇壳层的相对取向很敏感。进行散射路径分析，以确定负责信号的路径。
A theoretical approach is presented to calculate the natural circular dichroism recently discovered in the x-ray range (XNCD). XNCD is shown to be due to an interference of electric dipole and quadrupole transitions. The basic formula represents XNCD as an odd secondrank tensor. The crystal symmetries compatible with XNCD are determined. Sum rules are derived that relate XNCD to the mixing of odd and even orbitals on the absorbing site in the ground state. A multiple-scattering theory of XNCD is presented. The results are analyzed to show that XNCD is sensitive to the relative orientation of the cluster shells. A scattering path analysis is carried out to identify the paths responsible for the signal.