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
Magnetic resonant X-ray scattering in RbMnF3: an ab initio study
โ Scribed by Manabu Usuda; Manabu Takahashi; Jun-ichi Igarashi
- Publisher
- Elsevier Science
- Year
- 2004
- Tongue
- English
- Weight
- 192 KB
- Volume
- 345
- Category
- Article
- ISSN
- 0921-4526
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โฆ Synopsis
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 channel. Another peak about 4 eV below the 4p threshold is also obtained, but the intensity is too small compared with experiment. The contribution of the quadrupolar (1s-3d) transition is extremely small and there is no pre-edge peak.
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