Arola, E. and Horne, M. and Strange, P. and Winter, Herman and Szotek, Zdzislawa and Temmerman, Walter (2004) Self-interaction-corrected relativistic theory of magnetic scattering of x rays: Application to praseodymium. Physical Review B, 70 (23). pp. 235127-1. ISSN 1098-0121.
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| Official URL http://dx.doi.org/10.1103/PhysRevB.70.235127 |
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Abstract
A first-principles theory of resonant magnetic scattering of x rays is presented. The scattering amplitudes are calculated using a standard time-dependent perturbation theory to second order in the electron-photon interaction vertex. In order to calculate the cross section reliably an accurate description of the electronic states in the material under investigation is required and this is provided by the density functional theory employing the local spin density approximation combined with the self-interaction corrections. The magnetic x-ray resonant scattering theory has been implemented in the framework of the relativistic spin-polarized linear muffin tin orbital with atomic sphere approximation band structure calculation method. The theory is illustrated with an application to ferromagnetic praseodymium. It is shown that the theory quantitatively reproduces the dependence on the spin and orbital magnetic moments originally predicted qualitatively [Blume, J. Appl. Phys. 57, 3615 (1985)] and yields results that can be compared directly with experiment.
| Item Type: | Article |
|---|---|
| Subjects: | Q Science > QC Physics |
| Divisions: | Faculties > Science Technology and Medical Studies > School of Physical Sciences > Functional Materials Group |
| Depositing User: | Paul Strange |
| Date Deposited: | 05 Oct 2012 08:12 |
| Last Modified: | 28 Jan 2013 10:29 |
| Resource URI: | http://kar.kent.ac.uk/id/eprint/31280 (The current URI for this page, for reference purposes) |
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