Analysis of the atomic geometries of the (101¯0) and (112¯0) surfaces of CdSe by low-energy-electron diffraction and low-energy-positron diffraction

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Abstract
The relaxed atomic geometries of the low-index cleavage surfaces of wurtzite-structure CdSe are determined via comparison of dynamical scattering calculations with measured low-energy-electron-diffraction (LEED) and low-energy-positron-diffraction (LEPD) intensities. Both surfaces are found to be relaxed in accordance with recently proposed geometries deduced from total-energy-minimization calculations. Since this analysis represents the use of LEPD for quantitative surface-structure determination, we discuss the experimental technique, the differences observed between LEPD and LEED, and the complementary nature of the two spectroscopies. DOI: http://dx.doi.org/10.1103/PhysRevB.46.7011 © 1992 The American Physical Society