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Ga-induced atom wire formation and passivation of stepped Si(112)

P. C. Snijders·C. Gonzalez·S. Rogge·R. Perez·J. Ortega·F. Flores·H. H. Weitering
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Abstract

We present an in-depth analysis of the atomic and electronic structure of the quasi one-dimensional (1D) surface reconstruction of Ga on Si(112) based on Scanning Tunneling Microscopy and Spectroscopy (STM and STS), Rutherford Backscattering Spectrometry (RBS) and Density Functional Theory (DFT) calculations. A new structural model of the Si(112)6 x 1-Ga surface is inferred. It consists of Ga zig-zag chains that are intersected by quasi-periodic vacancy lines or misfit dislocations. The experimentally observed meandering of the vacancy lines is caused by the co-existence of competing 6 x 1 and 5 x 1 unit cells and by the orientational disorder of symmetry breaking Si-Ga dimers inside the vacancy lines. The Ga atoms are fully coordinated, and the surface is chemically passivated. STS data reveal a semiconducting surface and show excellent agreement with calculated Local Density of States (LDOS) and STS curves. The energy gain obtained by fully passivating the surface calls the idea of step-edge decoration as a viable growth method toward 1D metallic structures into question.

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P. C. Snijders, C. Gonzalez, S. Rogge, R. Perez, J. Ortega, F. Flores, H. H. Weitering. 2005-08-02. Ga-induced atom wire formation and passivation of stepped Si(112). https://doi.org/10.1103/physrevb.72.125343

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