Theory of X-ray scattering in the anomalous dispersion region and the problem of atomic-ternary-correlation-function determination in amorphous media
R V Vedrinskii; V L Kraizman; A A Novakovich; V Sh Machavariani; R V Vedrinskii; Theor. Dept., Rostov State Univ., Russia; V L Kraizman; Theor. Dept., Rostov State Univ., Russia; A A Novakovich; Theor. Dept., Rostov State Univ., Russia; V Sh Machavariani; Theor. Dept., Rostov State Univ., Russia
Журнал:
Journal of Physics: Condensed Matter
Дата:
1992-07-13
Аннотация:
A new method for X-ray atomic scattering factor (ASF) calculations in solids is proposed which enables one to obtain imaginary and real parts of the ASF without Kramers-Kronig transformation in the anomalous dispersion region (both in XANES and EXAFS regions). The method proposed allows for the inclusion of the environmental influence upon the ASF of the atoms in solids. Due to such influence, ASF in general becomes an anisotropic tensor. As an example, the ASF tensor components of a boron atom in a hexagonal BN crystal are calculated near the BK absorption edge. Imaginary parts of the ASF tensor components are employed to calculate the XANES which appears to be in reasonable agreement with experiment. The formulae for the intensity of X-ray diffraction from a homoatomic thin amorphous sample in a K-edge EXAFS region are obtained. The environmental influence upon the ASF causes the fine structure in the frequency dependence of the X-ray diffraction intensity. This fine structure together with the angular dependence of diffraction intensity is shown to provide valuable information about atomic ternary correlation functions of amorphous media.
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