Structure determination of the Si3N4/Si(111)- (8 x 8) surface: a combined study of Kikuchi electron holography, scanning tunneling microscopy, and ab initio calculations |
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Authors: | Ahn H Wu C L Gwo S Wei C M Chou Y C |
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Institution: | Department of Physics, National Tsing-Hua University, Hsinchu, Taiwan 300, Republic of China. |
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Abstract: | A comprehensive atomic model for the reconstructed surface of Si3N4 thin layer grown on Si(111) is presented. Kikuchi electron holography images clearly show the existence of adatoms on the Si3N4(0001)/Si(111)-(8x8) surface. Compared with the ab initio calculations, more than 30 symmetry-inequivalent atomic pairs in the outmost layers are successfully identified. Scanning tunneling microscopy (STM) images show diamond-shaped unit cells and nine adatoms in each cell. High-resolution STM images reveal extra features and are in good agreement with the partial charge density distribution obtained from total-energy calculations. |
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