Please use this identifier to cite or link to this item: https://doi.org/10.1103/PhysRevB.74.033301
Title: Interface reconstruction of MSi2 Si(001) (M=Co,Ni) from first principles
Authors: Zhao, F.F.
Feng, Y.P. 
Dong, Y.F.
Zheng, J.Z. 
Issue Date: 2006
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
URI: http://scholarbank.nus.edu.sg/handle/10635/96959
ISSN: 10980121
DOI: 10.1103/PhysRevB.74.033301
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