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Ab initio study of magnetic nonresonant and resonant X-ray scattering in KCuF3

โœ Scribed by Manabu Takahashi; Manabu Usuda; Jun-ichi Igarashi

Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
225 KB
Volume
345
Category
Article
ISSN
0921-4526

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โœฆ Synopsis

We investigate the magnetic X-ray scattering spectra around the K-edge of Cu in antiferromagnetic KCuF 3 using an ab initio band-structure calculation based on the density-functional theory. By taking account of orbital polarization through the spin-orbit interaction, we obtain resonant enhancement in the pre-K-edge and main-K-edge region on magnetic superlattice spots. The present calculation reproduces well the experimental spectra as functions of photon energy and of scattering angle.

๐Ÿ“œ SIMILAR VOLUMES

Magnetic resonant X-ray scattering in Rb
Magnetic resonant X-ray scattering in RbMnF3: an ab initio study
โœ Manabu Usuda; Manabu Takahashi; Jun-ichi Igarashi ๐Ÿ“‚ Article ๐Ÿ“… 2004 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 192 KB

We study the magnetic resonant X-ray scattering spectra around the Mn K-edge in RbMnF 3 on the basis of an ab initio band-structure calculation with including spin-orbit interaction. A resonant intensity from the dipolar (1s-4p) transition is obtained around the Mn 4p threshold only in the s2p 0 cha