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Phys. Rev. B 61, 7743–7751 (2000)

Causal trajectories description of atom diffraction by surfaces

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A. S. Sanz* and F. Borondo
Departamento de Química, C-IX, Universidad Autónoma de Madrid, Cantoblanco—28049 Madrid, Spain

S. Miret-Artés
Instituto de Matemáticas y Física Fundamental, C.S.I.C., Serrano 123, 28006 Madrid, Spain

Received 29 June 1999; revised 15 September 1999; published in the issue dated 15 March 2000

The method of quantum trajectories proposed by de Broglie and Bohm is applied to the study of atom diffraction by surfaces. As an example, a realistic model for the scattering of He off corrugated Cu is considered. In this way, the final angular distribution of trajectories is obtained by box counting, which is in excellent agreement with the results calculated by standard S matrix methods of scattering theory. More interestingly, the accumulation of quantum trajectories at the different diffraction peaks is explained in terms of the corresponding quantum potential. This nonlocal potential “guides” the trajectories causing a transition from a distribution near the surface, which reproduces its shape, to the final diffraction pattern observed in the asymptotic region, far from the diffracting object. These two regimes are homologous to the Fresnel and Fraunhofer regions described in undulatory optics. Finally, the turning points of the quantum trajectories provide a better description of the surface electronic density than the corresponding classical ones, usually employed for this task.

© 2000 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.61.7743
DOI:
10.1103/PhysRevB.61.7743
PACS:
79.20.Rf, 03.65.Sq, 03.65.Bz

*Electronic address: angel.sanz@uam.es

Electronic address: f.borondo@uam.es

Electronic address: salvador@fam88.imaff.csic.es