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Elastic interaction energy between a silicon interstitial and a carbon substitutional in a silicon crystal

Lookup NU author(s): Professor Nick Cowern

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Abstract

The strain interaction energy between a silicon interstitial and a carbon substitutional in a silicon crystal was modeled by a continuum Green's function method and by atomistic simulation. The interaction energy is proportional to d^−3, where d is separation distance between the defects. The pair interaction energy was found to be less than 0.04 meV for d > 6 nm increasing to more than about 0.1 meV for d < 3 nm. The energies are unlikely to influence the diffusional behavior of the defects except at distances of one or two unit cells. The potential between the point defects is repulsive if they are oriented along the (100) crystal axis, but attractive if they are positioned along (110) or (111).


Publication metadata

Author(s): Christmas UME, Faux DA, Cowern NEB

Publication type: Article

Publication status: Published

Journal: Physical Review B: Condensed Matter and Materials Physics

Year: 2007

Volume: 76

Issue: 20

ISSN (print): 1098-0121

ISSN (electronic): 1550-235X

Publisher: American Physical Society

URL: http://dx.doi.org/10.1103/PhysRevB.76.205205

DOI: 10.1103/PhysRevB.76.205205


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