Reference : Rumpling of LiF(001) surface from fast atom diffraction

	Document type :	Scientific journals : Article
	Discipline(s) :	Physical, chemical, mathematical & earth Sciences : Physics
	To cite this reference:	http://hdl.handle.net/10993/2804

Title :	Rumpling of LiF(001) surface from fast atom diffraction
Language :	English
Author, co-author :	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 [Centre National de la Recherche Scientifique - CNRS > Department ISEN > Institute for Electronics, Microelectronics, and Nanotechnology (IEMN)]
Publication date :	2010
Journal title :	Physical Review. A
Publisher :	American Physical Society
Volume :	82
Issue/season :	6
Pages :	062902
Peer reviewed :	Yes
Audience :	International
ISSN :	1050-2947
e-ISSN :	1094-1622
City :	College Park
Country :	MD
Abstract :	[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.
Permalink :	http://hdl.handle.net/10993/2804
DOI :	10.1103/PhysRevA.82.062902

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