Site of Mn in Mn -doped GaAs: X-ray absorption spectroscopy

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F. d'Acapito
CNR-INFM-OGG, c/o ESRF, GILDA CRG, 6 Rue Jules Horowitz, F-38043 Grenoble, France

G. Smolentsev
Department of Physics, Rostov State University, B. Sadovaya 105, 344006 Rostov-na-Donu, Russia

F. Boscherini
Department of Physics and CNISM, University of Bologna, Viale Berti Pichat 6/2, I-40127 Bologna, Italy

M. Piccin, G. Bais, S. Rubini, F. Martelli, and A. Franciosi
Laboratorio Nazionale TASC INFM-CNR in Area Science Park, S.S. 14, Km 163.5, I-34012 Basovizza, Trieste, Italy

Received 27 September 2005; revised 29 November 2005; published 13 January 2006

Inorder to determine the local structure of Mn in delta -dopedGaAs layers we have carried out an x-ray absorption spectroscopyexperiment at the Mn-K edge in samples grown by molecularbeam epitaxy with and without Be co-doping. Mn-Mn atomic correlationshave not been found within ~5 Å radius, ruling out thepresence of metallic clusters or local Mn enrichment. In samplesdeposited at 300 °C, Mn substitutionally occupies the Ga site witha local expansion ( [approximate] 2%) of the first-neighbor distance with respectto GaAs; the second neighbors remain at a distance veryclose to that of the host lattice, indicating that thestructural perturbation induced by Mn is very localized. Ab initiosimulation of the x-ray absorption near edge structure spectra confirmedthat Mn enters the Ga, rather than the As, site.Samples grown at 450 °C exhibit a reduction of the firstshell coordination number, suggesting the initial phases of MnAs precipitation.In the case of Be co-doping the downward shift ofthe Fermi energy leads to the appearance of Mn intetrahedral interstitial sites, of which we provide a previously unavailablelocal structural description.

URL:	http://link.aps.org/doi/10.1103/PhysRevB.73.035314
DOI:	10.1103/PhysRevB.73.035314
PACS:	75.50.Pp; 61.72.Vv; 61.10.Ht 75.50.Pp Magnetic semiconductors 61.72.Vv Doping and impurity implantation in III–V and II–VI semiconductors 61.10.Ht X-ray absorption spectroscopy including EXAFS, NEXAFS, XANES, etc YEAR: 2006
KEYWORDS:	beryllium, manganese, gallium arsenide, III-V semiconductors, semiconductor epitaxial layers, semiconductor doping, XANES, ab initio calculations, precipitation, Fermi level, interstitials

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