On the Calculation of an X-Ray Natural Circular Dichroism Signal

Abstract

The sequential derivation of an expression that describes an X-ray natural circular dichroism (XNCD) signal in the most general case is performed. The obtained expression is used as a basis to consider XNCD signals and their structural origins in copper metaborate CuB₂O₄ crystals at an incident radiation energy near the K absorption edge of copper and lanthanum–gallium silicate La₃Ga₅SiO₁₄ crystals at an incident radiation energy near the K absorption edge of gallium. It has been demonstrated that the measurements of circularly polarized X-ray absorption spectra in combination with corresponding first-principle calculations provide an efficient method for studying the contributions of crystallographically non-equivalent atoms to the X-ray optical activity of crystals.