Microscopic theory of atomic diffusion mechanisms in silicon

R. Car; P. J. Kelly; A. Oshiyama; S. T. Pantelides

doi:10.1016/S0378-4363(84)80064-9

Microscopic theory of atomic diffusion mechanisms in silicon

R. Car^*, P. J. Kelly, A. Oshiyama, S. T. Pantelides

^*Corresponding author for this work

Research output: Contribution to journal › Article › Academic › peer-review

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Abstract

Self-interstitials in Si are known to migrate athermally at very low temperatures (-4 K). In contrast, at hightemperatures (1100-1600 K), self-diffusion has an activation energy of -5 eV. We describe results of self-consistent Green's-function total energy calculations which, for the first time, provide detailed microscopic understanding of the mechanisms underlying these phenomena and reconcile the contrasting low- and high-temperature data.

Original language	English
Pages (from-to)	401-407
Number of pages	7
Journal	Physica B+C
Volume	127
Issue number	1-3
DOIs	https://doi.org/10.1016/S0378-4363(84)80064-9
Publication status	Published - 1 Jan 1984
Externally published	Yes

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abstract = "Self-interstitials in Si are known to migrate athermally at very low temperatures (-4 K). In contrast, at hightemperatures (1100-1600 K), self-diffusion has an activation energy of -5 eV. We describe results of self-consistent Green's-function total energy calculations which, for the first time, provide detailed microscopic understanding of the mechanisms underlying these phenomena and reconcile the contrasting low- and high-temperature data.",

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AU - Car, R.

AU - Kelly, P. J.

AU - Oshiyama, A.

AU - Pantelides, S. T.

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N2 - Self-interstitials in Si are known to migrate athermally at very low temperatures (-4 K). In contrast, at hightemperatures (1100-1600 K), self-diffusion has an activation energy of -5 eV. We describe results of self-consistent Green's-function total energy calculations which, for the first time, provide detailed microscopic understanding of the mechanisms underlying these phenomena and reconcile the contrasting low- and high-temperature data.

AB - Self-interstitials in Si are known to migrate athermally at very low temperatures (-4 K). In contrast, at hightemperatures (1100-1600 K), self-diffusion has an activation energy of -5 eV. We describe results of self-consistent Green's-function total energy calculations which, for the first time, provide detailed microscopic understanding of the mechanisms underlying these phenomena and reconcile the contrasting low- and high-temperature data.

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Microscopic theory of atomic diffusion mechanisms in silicon

Abstract

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