F. Buda, G. Chiarotti, et al.
Physica B: Physics of Condensed Matter
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. © 1984 Elsevier Science Ltd. All rights reserved.
F. Buda, G. Chiarotti, et al.
Physica B: Physics of Condensed Matter
R. Car, P.J. Kelly, et al.
ICDS 1984
R. Car, P.J. Kelly, et al.
ICPS Physics of Semiconductors 1984
Peter E. Blöchl, Enrico Smargiassi, et al.
Physical Review Letters