Rumpling of LiF(001) surface from fast atom diffraction
- Institut fuer Physik, Humboldt Universitaet zu Berlin, D-12489 Berlin (Germany)
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{sup +} ions with respect to F{sup -} 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 A. We then obtain a rumpling of (0.05{+-}0.04) A, which improves its accuracy achieved in previous work.
- OSTI ID:
- 21528899
- Journal Information:
- Physical Review. A, Vol. 82, Issue 6; Other Information: DOI: 10.1103/PhysRevA.82.062902; (c) 2010 The American Physical Society; ISSN 1050-2947
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
SUPERCONDUCTIVITY AND SUPERFLUIDITY
74 ATOMIC AND MOLECULAR PHYSICS
36 MATERIALS SCIENCE
ACCURACY
ATOMS
COMPARATIVE EVALUATIONS
DIFFRACTION
EXPERIMENTAL DATA
FLUORINE IONS
INCIDENCE ANGLE
LAYERS
LITHIUM FLUORIDES
QUANTUM MECHANICS
SURFACES
TEMPERATURE RANGE 0273-0400 K
THEORETICAL DATA
ALKALI METAL COMPOUNDS
CHARGED PARTICLES
COHERENT SCATTERING
DATA
EVALUATION
FLUORIDES
FLUORINE COMPOUNDS
HALIDES
HALOGEN COMPOUNDS
INFORMATION
IONS
LITHIUM COMPOUNDS
LITHIUM HALIDES
MECHANICS
NUMERICAL DATA
SCATTERING
TEMPERATURE RANGE