SURFACE-STRUCTURE DETERMINATION BY LEED ROTATION DIAGRAMS - APPLICATION TO THE SURFACE RELAXATION OF W(001)

被引:38
作者
KIRSCHNER, J [1 ]
FEDER, R [1 ]
机构
[1] KFA JULICH GMBH,INST FESTKORPERFORSCH,D-5170 JULICH 1,FED REP GER
关键词
D O I
10.1016/0039-6028(79)90034-7
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
We examine the potentialities of LEED rotation diagrams at large angles of incidence for surface structure determination. From a comparison of relativistic model calculations for the (00) beam from unreconstructed W(001) to experimental results we find that the structure of the rotation diagrams is essentially determined by strong intralayer scattering within the first atomic layer, whereas peak intensities in rotation diagrams depend strongly on the distance to the adjacent layers. By means of a simple criterion based on the comparison of theoretical and experimental peak intensity ratios, the top layer contraction is determined to be 5.5% ± 1.5%. The influence of the parameters entering the calculations and of the experimental uncertainties on the validity of this result are discussed. © 1979.
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收藏
页码:176 / 188
页数:13
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