Abstract

An approximate variational approach is described for computing elastic scattering of electrons from perfect semi-infinite crystals. It is shown that the well-known Korringa-Kohn-Bostocker (KKR) method of electronic band structure calculation can be conveniently used for such computations with the additional assumption of muffin-tin potential at the lattice sites. Then the scattering intensity turns out to be a ratio of two very small determinants which may be evaluated easily. Numerical computation of the (0, 0) intensity for Al is carried out and the high-energy band structure of Al is computed. The results for the (0, 0) intensity are compared with some theoretical and experimental results of low-energy electron diffraction (LEED) for Al. It is concluded that the present variational method may be used as a quick and inexpensive tool for calculating elastic LEED intensities fairly well.

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.