Home > Articles > Published articles > Theoretical evidence for the kick-out mechanism for B diffusion in SiC |
Date: | 2002 |
Abstract: | 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. |
Rights: | Tots els drets reservats. |
Language: | Anglès |
Document: | Article ; recerca ; Versió publicada |
Subject: | Diffusion ; Impurity diffusion ; Electronic structure calculations ; Interstitial defects ; Lattice theory ; Molecular dynamics |
Published in: | Applied physics letters, Vol. 81, Issue 16 (October 2002) , p. 2989-2991, ISSN 1077-3118 |
4 p, 327.5 KB |