Ab Initio Studies of the Diffusion of Intrinsic Defects and Silicon Dopants in Bulk InAs

We expose the predominant diffusional pathways for In and As in InAs, as well as dopant Si atoms in InAs, using Nudged Elastic Band calculations in conjunction with accurate Density Functional Theory calculations of the energy of defective systems. Our results show that As is a very fast diffuser co...

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Veröffentlicht in:Langmuir : the ACS journal of surfaces and colloids. - 1992. - 33(2017), 42 vom: 24. Okt., Seite 11484-11489
1. Verfasser: Reveil, Mardochee (VerfasserIn)
Weitere Verfasser: Huang, Hsien-Lien, Chen, Huang-Ta, Liu, Jason, Thompson, Michael O, Clancy, Paulette
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2017
Zugriff auf das übergeordnete Werk:Langmuir : the ACS journal of surfaces and colloids
Schlagworte:Journal Article Research Support, U.S. Gov't, Non-P.H.S. Research Support, Non-U.S. Gov't