Full text loading...
Atomistic model representing an a-Si3N4/Si(100) interface; Si and N atoms are represented by blue and red symbols, respectively.
Variations of the VBM and CBM along the direction orthogonal to the interface plane, obtained at the DFT-PBE level of theory. Two interfaces are present in the model, one at ∼0 Å and the other one at ∼14 Å.
The variation of the local dielectric constant along the direction orthogonal to the interface plane, obtained at the DFT-PBE level of theory. Red dashed line indicates the average values in the bulk regions of c-Si and a-Si3N4.
Band gaps of bulk c-Si ( ), a-Si3N4 ( ), and band offsets of the a- /Si(001) interface, calculated at the DFT-PBE and GW levels of theory. Photoemission spectroscopy experimental results are also shown for comparison. All values are in eV.
Article metrics loading...