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

Авторы: Aleksandrov A.I., Dobryakov S.N., Privezentsev V.V.
Журнал: Russian Microelectronics
Том: 36
Номер: 3
Год издания: 2007
Издательство: Maik Nauka/Interperiodica Publishing
Местоположение издательства: Russian Federation
Первая страница: 203
Последняя страница: 207
DOI: 10.1134/s1063739707030092
Аннотация: An ab-initio calculation of the structure and electron-spin properties is performed for the Zn–Pcomplex 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 occurat 1Zn, 2Si, and 13Si. The interatomic distances in the cluster are determined. ESR spectroscopic characteristicsof the Zn–P complex are evaluated by computer simulation on the basis of previous experimental results. TheESR data obtained indicate a complicated nature of the spin exchange between the two paramagnetic centers.
Добавил в систему: Александров Алексей Иванович

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