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Electronic Structure of Mercury, Gold and Platinum Impurities in Silicon
Published online by Cambridge University Press: 28 February 2011
Abstract
The electronic structures of substitutional and tetrahedral-site interstitial Hg+, Auo and Pt− isoelectronic impurities in silicon have been analysed. The centers are theoretically described by the Watson-sphereterminated molecular cluster model within the framework of the multiplescattering Xa formalism. At the substitutional sites the centers are related to the “vacancy” model recently proposed to describe the properties of the elements at the end of the transition-metal series. At the interstitialsites the impurities introduce a hyperdeep s-like level close to the bottom of the valence band and, in agreement with experiments, do not show shallow donor activities. For all the analysed centers the d-states remain fully occupied below, or within, the valence band.
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- Copyright © Materials Research Society 1985
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