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|Title:||Interface reconstruction of MSi2 Si(001) (M=Co,Ni) from first principles|
|Citation:||Zhao, F.F., Feng, Y.P., Dong, Y.F., Zheng, J.Z. (2006). Interface reconstruction of MSi2 Si(001) (M=Co,Ni) from first principles. Physical Review B - Condensed Matter and Materials Physics 74 (3) : -. ScholarBank@NUS Repository. https://doi.org/10.1103/PhysRevB.74.033301|
|Abstract:||First-principles calculations based on density-functional theory and generalized gradient approximation were performed to study the interface structures of epitaxial NiSi2 and CoSi2 on a Si(001) substrate. A sevenfold- Z model with zigzag Si-dimer rows in the interface layer is proposed. The model is energetically comparable to an established sevenfold- R model and they could coexist in both CoSi2 Si and NiSi2 Si structures, leading possibly to degradation of the interface quality of the silicide/silicon heterostructure. © 2006 The American Physical Society.|
|Source Title:||Physical Review B - Condensed Matter and Materials Physics|
|Appears in Collections:||Staff Publications|
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