Enhanced modes of oxygen diffusion in silicon

Solid State Communications

Volumn 106, Issue 5, 1998, Pages 243-248

  Ramamoorthy, M ^a,b   Pantelides, S T ^a  

^a VANDERBILT UNIVERSITY   (United States)

^b NORTH CAROLINA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ATOMS; CALCULATIONS; CATALYSIS; HYDROGEN; OXYGEN; SEMICONDUCTING SILICON;

ATOMIC MOTION; ENHANCED MODES; MIGRATION PATHWAY;

DIFFUSION;

EID: 0032066959     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0038-1098(98)00075-1     Document Type: Article

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22. To obtain this configuration, the four principal atoms were moved into positions lying on the dotted lines parallel to the < 001 > direction, as shown in Fig. 2, and were constrained to move only in this direction. All other atoms were allowed to relax to equilibrium.
23. This was achieved by moving Si(C) towards Si(L), while the other three principal atoms were still constrained as before.
24. During this motion of the O atom, Si(C) was moved into a position on the dotted line parallel to the < 001 > direction, as shown in Fig. 4, and was allowed to relax only in this direction. All other atoms were allowed to relax to equilibrium.