TY - GEN A1 - Dabrowski, Jarek Marek A1 - Lippert, Gunther A1 - Avila, J. A1 - Baringhaus, Jens A1 - Colambo, I. A1 - Dedkov, Yu. S. A1 - Herziger, Felix A1 - Lupina, Grzegorz A1 - Maultzsch, J. A1 - Schaffus, T. A1 - Schröder, Thomas A1 - Sowinska, Małgorzata A1 - Tegenkamp, Christoph A1 - Vignaud, D. A1 - Asensio, Maria Carmen T1 - Understanding the growth mechanism of graphene on Ge/Si(001) surfaces T2 - Scientific Reports Y1 - 2016 U6 - https://doi.org/10.1038/srep31639 SN - 2045-2322 IS - 6 SP - Art. 31639 ER - TY - GEN A1 - Noatschk, Katharina A1 - Hofmann, E. V. S. A1 - Dabrowski, J. A1 - Curson, N. J. A1 - Schröder, Thomas A1 - Klesse, Wolfgang Matthias A1 - Seibold, Götz T1 - Ge(001) surface reconstruction with Sn impurities T2 - Surface Science N2 - Defects play an important role for surface reconstructions and therefore also influence the substrate growth. In this work we present a first principle calculation for the Ge(001) surface without and with tin impurities incorporated into the top surface layer. By mapping the system onto an Ising-type model, with interaction constants taken from density functional theory, the stability of the surface reconstructions under the influence of different concentrations of tin impurities is explored. This approach allows us to simulate the possible phase transitions for the different surface reconstructions including the local structure around the tin impurity atoms. In addition, we compare our theoretical results with experimental STM images on clean and Sn-doped Ge(100) surfaces. KW - Gesn KW - DFT KW - Monte carlo simulations KW - Surface reconstruction KW - Impurities Y1 - 2021 UR - https://www.sciencedirect.com/science/article/pii/S0039602821001163?dgcid=author U6 - https://doi.org/10.1016/j.susc.2021.121912 VL - 713 SP - 1 EP - 8 ER -