ß C
3
N
4
-- ß Si
3
N
4
Interface
Before Geometry Relaxation
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Red arrows indicate forces.
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Carbon
Silicon
Nitrogen
After Geometry Relaxation
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Red arrows indicate forces.
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Carbon
Silicon
Nitrogen
Note that the bottom two layers are frozen at the bulk geometry. Therefore, forces on them remains unchanged after the relaxation.
Valence Electron Density (Isodensity Plot)