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

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

8 Scopus citations

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 (US)
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
State	Published - Dec 1984
Externally published	Yes

All Science Journal Classification (ASJC) codes

Engineering(all)

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10.1016/S0378-4363(84)80064-9

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title = "Microscopic theory of atomic diffusion mechanisms in silicon",

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.",

author = "R. Car and Kelly, {P. J.} and A. Oshiyama and Pantelides, {S. T.}",

note = "Funding Information: This work was supported in part by ONR Contract N00014-80-C-0679.",

year = "1984",

month = dec,

doi = "10.1016/S0378-4363(84)80064-9",

language = "English (US)",

volume = "127",

pages = "401--407",

journal = "Physica B+C",

issn = "0378-4363",

publisher = "North-Holland Publ Co",

number = "1-3",

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TY - JOUR

T1 - Microscopic theory of atomic diffusion mechanisms in silicon

AU - Car, R.

AU - Kelly, P. J.

AU - Oshiyama, A.

AU - Pantelides, S. T.

N1 - Funding Information: This work was supported in part by ONR Contract N00014-80-C-0679.

PY - 1984/12

Y1 - 1984/12

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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U2 - 10.1016/S0378-4363(84)80064-9

DO - 10.1016/S0378-4363(84)80064-9

M3 - Article

AN - SCOPUS:0021611018

SN - 0378-4363

VL - 127

SP - 401

EP - 407

JO - Physica B+C

JF - Physica B+C

IS - 1-3

ER -

Microscopic theory of atomic diffusion mechanisms in silicon

Abstract

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