Electronic Structure of Chalcogen Impurities in Silicon

Thiagarajan, M.; Iyakutti, K.; Palaniyandi, E.

doi:10.1002/(sici)1521-3951(199802)205:2<553::aid-pssb553>3.0.co;2-q

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Charge Transfer1

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1998

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Cited by 5 publications

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“…Table I11 gives to elements of higher electronegativity. This is confirmed in the case of A1 clusters [23]. For P, S, and C1 impurities, the electronegativity is higher than that of Si, and hence charge is transferred from the host Si atoms to the central impurity.…”

Section: Charge Transfersupporting

confidence: 55%

Electronic structure of Al, P, S, and Cl impurities in silicon

Thiagarajan¹,

Iyakutti

Palaniyandi

et al. 1998

Int. J. Quantum Chem.

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rnWe report a fully self-consistent investigation of the electronic structure, relation between charge transfer and electronegativity, bonding characteristics, and alloying of Al, P, S, and C1 with silicon. The present study indicates that the charge transfer from the host Si atoms to the central impurity atom increases with electronegativity of the impurity element. The bonding between host Si atoms and the impurity atoms is ionic in nature. 0 1996 John Wiley & Sons, Inc. scattering x a (MSX a) method within the framework of the standard muffin tin potential approximation is used. This method, developed by Johnson and Smith E5, 61, has been successfully employed for defects in

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Section: Charge Transfersupporting

confidence: 55%