Zn-P complex in Si: An ab-initio calculation of the structure and electron-spin properties

Zn-P complex in Si: An ab-initio calculation of the structure and electron-spin properties An ab-initio calculation of the structure and electron-spin properties is performed for the Zn-P complex in Si, which is considered to be a part of the ZnPSi15H22 cluster. The distribution of electron-spin density is calculated over the Zn, P, and Si atoms of the cluster. Comparatively high spin densities are found to occur at 1Zn, 2Si, and 13Si. The interatomic distances in the cluster are determined. ESR spectroscopic characteristics of the Zn-P complex are evaluated by computer simulation on the basis of previous experimental results. The ESR data obtained indicate a complicated nature of the spin exchange between the two paramagnetic centers. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Russian Microelectronics Springer Journals

Zn-P complex in Si: An ab-initio calculation of the structure and electron-spin properties

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Publisher
Nauka/Interperiodica
Copyright
Copyright © 2007 by Pleiades Publishing, Ltd.
Subject
Engineering; Electrical Engineering
ISSN
1063-7397
eISSN
1608-3415
D.O.I.
10.1134/S1063739707030092
Publisher site
See Article on Publisher Site

Abstract

An ab-initio calculation of the structure and electron-spin properties is performed for the Zn-P complex in Si, which is considered to be a part of the ZnPSi15H22 cluster. The distribution of electron-spin density is calculated over the Zn, P, and Si atoms of the cluster. Comparatively high spin densities are found to occur at 1Zn, 2Si, and 13Si. The interatomic distances in the cluster are determined. ESR spectroscopic characteristics of the Zn-P complex are evaluated by computer simulation on the basis of previous experimental results. The ESR data obtained indicate a complicated nature of the spin exchange between the two paramagnetic centers.

Journal

Russian MicroelectronicsSpringer Journals

Published: May 25, 2007

References

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