Abstract
Tetrahedrally coordinated compound semiconductors occur in two crystallographic allotropes: zincblende and wurtzite. Zincblende materials exhibit a single cleavage face: The (110) surface consisting of equal numbers of anions and cations which form zig-zag chains directed along <110> directions in the surface. Wurtzite materials exhibit two cleavage faces, both consisting of equal numbers of anion and cation species. The \((10\overline 1 0)\) cleavage surfaces consist of isolated anion-cation dimers back bonded to the layer beneath whereas the \((10\overline 2 0)\) surfaces consist of anion-cation chains, analogous to those on zincblende (110) but with four rather than two inequivalent atoms per surface unit cell. All three surfaces exhibit reconstructions which do not alter the symmetry of the surface unit cell but which lead to large (≈ 1 Å) deviations of the positions of the atomic species in the uppermost layer(s) from those in the truncated bulk solid. These reconstructed surface geometries have been determined quantitatively for the (110) surfaces of zincblende structure AlP, AlAs, GaP, GaAs, GaSb, InP, InAs, InSb, ZnS, ZnSe, ZnTe and CdTe; the \((10\overline 1 0)\) surfaces of wurtzite structure ZnO and CdSe; and the \((11\overline 2 0)\) surfaces of CdSe. Theoretical predictions of these reconstructed geometries have been given which are in either quantitative or semiquantitative correspondence with the experimentally determined structures. Analysis of the trends exhibited by the members of each class of cleavage surface and comparison thereof with theoretical predictions permit the extraction from these results of generalizations characteristic of novel types of surface chemical bonding. The most important of these is the notion that for each class of surface the atomic geometries are approximately “universal” when their coordinates are properly scaled with the bulk lattice constant. A quantitative description of this result is presented which reveals that extensions of the concepts of inorganic molecular coordination chemistry are required to predict the cleavage-surface atomic geometries and electronic structures of binary tetrahedrally coordinated compound semiconductors.
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Duke, C.B. (1994). Reconstruction of the cleavage faces of tetrahedrally coordinated compound semiconductors. In: Helbig, R. (eds) Advances in Solid State Physics 33. Advances in Solid State Physics, vol 33. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0107881
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