کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1683128 | 1010492 | 2011 | 4 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Atomic scattering potentials for an aluminum surface: Test of ab initio calculations Atomic scattering potentials for an aluminum surface: Test of ab initio calculations](/preview/png/1683128.png)
Atom-surface potentials entering the calculations of fast atom scattering at surfaces are often taken to be purely repulsive and parameterized by variants of the ZBL potential. However, such surface potentials derived from pairwise superpositions of binary potentials fail to reproduce recent rainbow scattering measurements performed for various atomic projectiles above different faces of atomically flat single crystal Al surfaces. It was found that the dependence of the rainbow angle θrbθrb on the projectile’s kinetic energy component normal to the surface E⊥E⊥ varies with the electronic structure of the projectile as well as with the crystallographic face of the aluminum surface. We determine static atom-surface potentials by ab initio methods which show fair agreement with the experiment.
Journal: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms - Volume 269, Issue 11, 1 June 2011, Pages 1221–1224