Analysis of low-energy electron diffraction intensities from ZnS(110)

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Abstract
Preliminary results for the atomic geometry of the (110) surface of ZnS are reported. The surface structure is determined by comparing dynamical calculations of elastic low-energy electron diffraction (ELEED) intensities with those measured at T = 300 K using a pulsed floodgun technique to suppress the charging of the insulating ZnS sample. In contrast to other tetrahedrally-coordinated, zincblende-structure compound semiconductors for which the (110) surfaces are known to be reconstructed, i.e., GaAs, InSb, InP, and ZnTe, the measured ELEED intensities from ZnS(110) are described acceptably by calculations based on the truncated bulk atomic geometry and minor variants thereof. Measures of the quality of this description of the ELEED intensity data are the x-ray reliability (R) factor, Rx = 0.222, and the Zanazzi–Jona R-factor, RZJ = 0.229. The minimum x-ray R-factor which we have achieved thus far, i.e., Rx = 0.219, is obtained for a puckered surface geometry in which the sulfur species relaxes vertically upward by 0.06 Å and the zinc species vertically upward by 0.02 Å. While we believe that the surface structure can be refined further, the quality of the description of the measured ELEED intensities by atomic geometries in the vicinity of the unreconstructed surfaces is surprisingly good relative to previously-studied zincblende-structure compound semiconductors.

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