Reference : Rumpling of LiF(001) surface from fast atom diffraction
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
http://hdl.handle.net/10993/2804
Rumpling of LiF(001) surface from fast atom diffraction
English
Schueller, A. [Humboldt-Universität zu Berlin > Institut für Physik]
Wethekam, S. [Humboldt-Universität zu Berlin > Institut für Physik]
Blauth, D. [Humboldt-Universität zu Berlin > Institut für Physik]
Winter, H. [Humboldt-Universität zu Berlin > Institut für Physik]
Aigner, F. [Vienna University of Technology > Institute for Theoretical Physics]
Simonovic, N. [Vienna University of Technology > Institute for Theoretical Physics]
Solleder, B. [Vienna University of Technology > Institute for Theoretical Physics]
Burgdörfer, Joachim [Vienna University of Technology > Institute for Theoretical Physics]
Wirtz, Ludger mailto [Centre National de la Recherche Scientifique - CNRS > Department ISEN > Institute for Electronics, Microelectronics, and Nanotechnology (IEMN)]
2010
Physical Review. A
American Physical Society
82
6
062902
Yes
International
1050-2947
1094-1622
College Park
MD
[en] Quantum diffraction of fast atoms scattered from the topmost layer of surfaces under grazing angles of incidence can be employed for the analysis of detailed structural properties of insulator surfaces. From comparison of measured and calculated diffraction patterns we deduce the rumpling of the topmost surface layer of LiF(001) (i.e., an inward shift of Li(+) ions with respect to F(-) ions). The effect of thermal vibrations on the measurement of rumpling is accounted for by ab initio calculations of the mean-square vibrational amplitudes of surface ions. At room temperature this leads to a reduction of the apparent rumpling by 0.008 angstrom. We then obtain a rumpling of ( 0.05 +/- 0.04) angstrom, which improves its accuracy achieved in previous work.
http://hdl.handle.net/10993/2804
10.1103/PhysRevA.82.062902

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