SurfaceScience21 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 33: Poster Session III: Semiconductor substrates I
O 33.4: Poster
Dienstag, 2. März 2021, 10:30–12:30, P
Structural LEED analysis of the reconstructed Si(001) surface — •Jascha Bahlmann1, Kris Holtgrewe2, Simone Sanna2, and Joachim Wollschläger1 — 1Fachbereich Physik, Universität Osnabrück, 49076 Osnabrück, Germany — 2Institut für Theoretische Physik and Center for Materials Research (LaMa), Justus-Liebig-Universität Gießen, 35392 Gießen, Germany
Previous attempts to solve the atomic geometry of the Si(001)-(2x1) reconstructed surface by means of LEED yielded so far only ambiguous results. We present a geometrical model with asymmetric and buckled dimers with an excellent agreement between the experimental and calculated spectra by dynamic LEED theory. Furthermore, we reveal which parts of the analysis were particularly crucial for obtaining this conclusive IV-LEED result.
Additionally, a comparison between our model, the models of DFT calculations and X-ray diffraction is presented. Moreover, we go a step further and examine also the transition to the higher order reconstruction c(4x2).