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.
UR - http://www.scopus.com/inward/record.url?scp=0021611018&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0021611018&partnerID=8YFLogxK
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: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics
JF - Physica B: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics
IS - 1-3
ER -