Peculiar Doping Behavior of Si:Be.

Abstract

The total energies and structures of a number of Be-induced defects in Si are investigated using ab-initio local density calculations. Our primary results are: 1) The geometry of the isoelectronic center is found to correspond to a {xc[111]} substitutionalinterstitial pair (SIP); 2) The low energy defect spectrum includes large Be complexes containing at least one substitutional atom; and 3) Simple bonding rules exist for the stability of the different types of bonds in the material. Thus the Si-Be bond is found to be stable for all defect configurations while the Be-Be bond is metastable.

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Acknowledgement

This work was supported in part by the Office of Naval Research through Contract No. N00014-82-C-0244

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Correspondence to Eugen Tarnow.

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Tarnow, E., Zhang, S.B., Chang, K.J. et al. Peculiar Doping Behavior of Si:Be.. MRS Online Proceedings Library 209, 119–124 (1990). https://doi.org/10.1557/PROC-209-119

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