Atomic Geometry of the Low-Index Surfaces of ZnO: LEED Analysis.

摘要

Low-energy-electron-diffraction (LEED) intensities have been measured for the (0001), (0001), (1010), and (1120) faces of ZnO and analyzed using a dynamical multiple-scattering model of the diffraction process. Atomic and ionic overlapping charge density models are used to construct the electron-ion-core potential. Comparison of the calculated and observed LEED intensities suggests that the Zn ions on the (001) face may exhibit a contracted outermost layer spacing but that the ionic positions on the electrically neutral (1010) and (1120) faces are undistorted, to within 0.1 A, from their values in bulk ZnO.