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Theoretical evidence for the kick-out mechanism for B diffusion in SiC
Rurali, Riccardo (Centro Nacional de Microelectrónica)
Godignon, Philippe (Centro Nacional de Microelectrónica)
Rebollo Palacios, José Andrés (Centro Nacional de Microelectrónica)
Ordejón Rontomé, Pablo (Institut de Ciència de Materials de Barcelona)
Hernández, E. (Institut de Ciència de Materials de Barcelona)
American Physical Society

Fecha: 2002
Resumen: In this letter, we analyze by means of first-principles electronic structure calculations the diffusion of B impurities in 3C-SiC. We find, through molecular dynamics, that substitutional B at a Si lattice site is readily displaced by a nearby Si interstitial by the process known as a kick-out mechanism, in agreement with recent experimental results. This is in contrast to the situation in Si, where B has recently been shown to diffuse via an interstitialcy mechanism.
Derechos: Tots els drets reservats.
Lengua: Anglès.
Documento: article ; recerca ; publishedVersion
Materia: Diffusion ; Impurity diffusion ; Electronic structure calculations ; Interstitial defects ; Lattice theory ; Molecular dynamics
Publicado en: Applied Physics Letters, Vol. 81, Issue 16 (October 2002) , p. 2989-2991, ISSN 1077-3118

DOI: 10.1063/1.1515369


4 p, 327.5 KB

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