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4 p, 327.5 KB 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
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. [...]
2002 - 10.1063/1.1515369
Applied Physics Letters, Vol. 81, Issue 16 (October 2002) , p. 2989-2991  

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