Isolated 57Fe atoms were studied in MgO single-crystals by emission Mössbauer spectroscopy following implantation of 57Mn decaying to 57Fe. Four Mössbauer spectral components were found corresponding to different Fe lattice positions and/or charge states. Two components represent Fe atoms substituting Mg as Fe2+ and Fe3+, respectively; a third component is due to Fe in a strongly implantation-induced disturbed region. The fourth component, which is the focus of this paper, can be assigned to Fe at an interstitial site. Comparison of its measured isomer shift with ab initio calculations suggests that the interstitial Fe is located on, or close to, the face of the rock-salt MgO structure. To harmonize such an assignment with the measured near-zero quadrupole interaction a local motion process (cage motion) of the Fe has to be stipulated. The relation of such a local motion as a starting point for long range diffusion is discussed.
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14 January 2014
Research Article|
January 09 2014
Interstitial Fe in MgO
T. E. Mølholt;
T. E. Mølholt
a)
1
Science Institute, University of Iceland
, Dunhaga 3, IS-107 Reykjavík, Iceland
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R. Mantovan;
R. Mantovan
2
Laboratorio MDM, IMM-CNR
, Via Olivetti 2, 20846 Agrate Brianza (MB), Italy
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H. P. Gunnlaugsson;
H. P. Gunnlaugsson
3
Department of Physics and Astronomy, Aarhus University
, DK-8000 Aarhus C, Denmark
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A. Svane;
A. Svane
3
Department of Physics and Astronomy, Aarhus University
, DK-8000 Aarhus C, Denmark
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H. Masenda;
H. Masenda
4
School of Physics, University of the Witwatersrand
, WITS 2050, South Africa
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D. Naidoo;
D. Naidoo
4
School of Physics, University of the Witwatersrand
, WITS 2050, South Africa
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K. Bharuth-Ram;
K. Bharuth-Ram
5
Durban University of Technology
, Durban 4001, South Africa
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M. Fanciulli;
M. Fanciulli
2
Laboratorio MDM, IMM-CNR
, Via Olivetti 2, 20846 Agrate Brianza (MB), Italy
6
Dipartimento di Scienza dei Materiali, Università di Milano Bicocca
, Milano, Italy
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H. P. Gislason;
H. P. Gislason
1
Science Institute, University of Iceland
, Dunhaga 3, IS-107 Reykjavík, Iceland
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K. Johnston;
K. Johnston
7
PH Department, ISOLDE/CERN
, 1211 Geneva 23, Switzerland
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G. Langouche;
G. Langouche
8
Instituut voor Kern-en Stralings fysika, University of Leuven
, B-3001 Leuven, Belgium
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S. Ólafsson;
S. Ólafsson
1
Science Institute, University of Iceland
, Dunhaga 3, IS-107 Reykjavík, Iceland
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R. Sielemann;
R. Sielemann
9
Helmholtz-Zentrum-Berlin für Materialien und Energie
, D-14109 Berlin, Germany
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G. Weyer;
G. Weyer
3
Department of Physics and Astronomy, Aarhus University
, DK-8000 Aarhus C, Denmark
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a)
Author to whom correspondence should be addressed. Electronic mail: [email protected]. Phone: (+354) 5254800.
J. Appl. Phys. 115, 023508 (2014)
Article history
Received:
September 03 2013
Accepted:
December 20 2013
Citation
T. E. Mølholt, R. Mantovan, H. P. Gunnlaugsson, A. Svane, H. Masenda, D. Naidoo, K. Bharuth-Ram, M. Fanciulli, H. P. Gislason, K. Johnston, G. Langouche, S. Ólafsson, R. Sielemann, G. Weyer, ISOLDE collaboration; Interstitial Fe in MgO. J. Appl. Phys. 14 January 2014; 115 (2): 023508. https://doi.org/10.1063/1.4861403
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