Novel Reconstruction Mechanism for Dangling-Bond Minimization: Combined Method 
Surface Structure Determination of SiC(111)-(3×3)

Starke, U.; Schardt, J.; Bernhardt, J.; Franke, M.; Reuter, Karsten; Wedler, H.; Heinz, K.; Furthmüller, J.; Käckell, P.; Bechstedt, F.

doi:10.1103/PhysRevLett.80.758

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Novel Reconstruction Mechanism for Dangling-Bond Minimization: Combined Method Surface Structure Determination of SiC(111)-(3×3)

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引用

Starke, U., Schardt, J., Bernhardt, J., Franke, M., Reuter, K., Wedler, H., Heinz, K., Furthmüller, J., Käckell, P., & Bechstedt, F. (1998). Novel Reconstruction Mechanism for Dangling-Bond Minimization: Combined Method Surface Structure Determination of SiC(111)-(3×3). Physical Review Letters, 80(4), 758-761. doi:10.1103/PhysRevLett.80.758.

引用: https://hdl.handle.net/21.11116/0000-000A-FC0F-B

要旨

The SiC(111)−(3×3) phase was analyzed by scanning tunneling microscopy (STM), low-energy electron diffraction (LEED) holography, density functional theory (DFT), and conventional LEED. A single adatom per unit cell found in STM acts as a beam splitter for the holographic inversion of discrete LEED spot intensities. The resulting 3D image guides the detailed analyses by LEED and DFT which find a Si tetramer on a twisted Si adlayer with cloverlike rings. This twist model with one dangling bond left per unit cell represents a novel (n×n)-reconstruction mechanism of group-IV (111) surfaces.