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

Citation:
Ahn, H., Wu C. L., Gwo S., Wei C. M., & Chou Y. C. (2001).  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. Physical Review Letters. 86, 2818-2821., Mar, Number 13

Abstract:

A comprehensive atomic model for the reconstructed surface of Si3N4 thin layer grown on Si(lll) is presented. Kikuchi electron holography images clearly show the existence of adatoms on the Si3N4(0001)/Si(111)-(8 x 8) surface. Compared with the nb 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.

Notes:

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