Ge(001) surface reconstruction with Sn impurities

被引：1
|
作者：
Noatschk, K. [1 ,2 ]
Hofmann, E. V. S. [1 ,4 ,5 ]
Dabrowski, J. [1 ]
Curson, N. J. [4 ,5 ]
Schroeder, T. [1 ,2 ,3 ]
Klesse, W. M. [1 ]
Seibold, G. [2 ]
机构：
[1] IHP Leibniz Inst Innovat Mikroelekt, Technol Pk 25, D-15236 Frankfurt, Oder, Germany
[2] BTU Cottbus Senftenberg, Inst Phys, POB 101344, D-03013 Cottbus, Germany
[3] Leibniz Inst Kristallzuchtung, Max Born Str 2, D-12489 Berlin, Germany
[4] UCL, London Ctr Nanotechnol, 17-19 Gordon St, London WC1H 0AH, England
[5] UCL, Dept Elect & Elect Engn, London WC1E 7JE, England
来源：
SURFACE SCIENCE | 2021年 / 713卷
关键词：
Gesn; DFT; Monte carlo simulations; Surface reconstruction; Impurities; MONTE-CARLO; FIELD; DIMERS;
D O I：
10.1016/j.susc.2021.121912
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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.
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页数：8
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