Pre-edge XANES structure of Mn in (Ga,Mn)As

Details Pre-edge XANES structure of Mn in (Ga,Mn)As Pre-edge XANES structure of Mn in (Ga,Mn)As

2010-03-23

arxiv.org/abs/1003.4390v1

Chem. Met. Alloys 2, 34 (2009)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

5 pages, 4 figures

Scientific paper

The X-ray absorption near-edge structure (XANES) at the Mn K-edge in the (Ga,Mn)As magnetic semiconductor was simulated using the full potential linearized augmented plane wave (FLAPW) method including the core-hole effect. The calculations were performed in the supercell scheme for a substitutional and two tetrahedral interstitial Mn sites. The resulting pre-edge absorption structures show sharp distinction between the spectra simulated for the substitutional and interstitial Mn defects which is determined mainly by the second nearest neighbor ligands. A single feature is obtained for the substitutional Mn impurity, whereas two peaks appear for both types of interstitial defects. An interpretation of the pre-edge features was proposed.

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