By Michel A. Van Hove Ph.D., Shuk Yin Tong Ph.D. (auth.)
ISBN-10: 3642671950
ISBN-13: 9783642671951
ISBN-10: 3642671977
ISBN-13: 9783642671975
Surface technological know-how has skilled a magnificent progress within the final twenty years. the eye has focussed almost always on single-crystal surfaces with, at the atomic scale, really basic and well-defined buildings (for instance, fresh surfaces and such surfaces with restricted quantities of extra overseas atoms and molecules). some of the most basic forms of details wanted approximately strong surfaces issues the relative atomic positions. The geometrical association of floor atoms impacts so much actual and chemical houses of surfaces, the checklist of that is lengthy and encompasses a variety of vital technological purposes: digital floor states, touch potentials, paintings features, oxidation, heterogeneous catalysis, friction, adhesion, crys tal progress and so on. floor crystallography - the choice of relative atomic positions at surfaces - has came upon a profitable instrument in Low-Energy Electron Diffraction (LEED): this system has now made up our minds the atomic positions for almost 100 surfaces, no matter if within the fresh nation or with extra international atoms or molecules. the most objective of this publication is to put up a collection of laptop seasoned grams that has been particularly designed for and commonly utilized in floor crystallography by means of LEED. those courses are in keeping with the dynamical (i.e.
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Extra info for Surface Crystallography by LEED: Theory, Computation and Structural Results
Example text
When no symmetry is used. the vector ~ is set equal to Q in (51). Symmetry is further exploited as described in Appendix A. quite analogously to the case of Bravais-lattice layers [cf. (39)1. The only difference is that. for computational convenience. • the sum runs through columns rather than rows of M. 2 Subroutine MTINV The method of Sect. 1 is implemented in subroutine MTINV (and subroutines called by MTINV). ~lany comments made in Sect. 1 concerning subroutine MSMF apply here as well. in particular regarding the use of symmetry and the registry-dependence of the diffraction matrices.
To test symmetries on just a few beams individually instead of on all beams simultaneously). or when the number of beams is consciously desired to be less than strictly necessary. 4). 4). we actually sum over the quantities YR,-m[(l(~gi)J. each one corrected for a registry shift and a Debye-\~aller factor if anisotropic thermal effects are desired. 1 the symmetry relations for spherical harmonics used to compute YR,_m[(l(~9i)1 efficiently. 2). These symmetry relations assume that any mirror planes are oriented as shown in Fig.
Has a Bravais lattice). When more than one atom per unit cell are present, the layer should either be considered as a composite layer (cf. 1 for the appropriate criteria). 1 Layer Diffraction Matrices The diffraction matrices are calculated in our programs according to the following formula [2]. ,l'm' 1m (34) x . -1' {1 Y1'm' Equation (34) is valid only if the orlgln of coordinates within the layer is an atom center (see below for more generality). A is the area of the layer unit cell, I~o I = /2(E-V o ) is real and 1 (1 = 0,1,2, ...
Surface Crystallography by LEED: Theory, Computation and Structural Results by Michel A. Van Hove Ph.D., Shuk Yin Tong Ph.D. (auth.)
by Charles
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