Abstract
Comparison of relativistically and nonrelativistically calculated intensity versus energy profiles in low energy electron diffraction (LEED) from the (111) surface of Au (Z = 79) reveals that relativistic corrections are quite significant. They can however, be obtained in very good approximation by quasirelativistic calculations, in which spin-averaged relativistic phase shifts are used as input for the nonrelativistic multiple scattering formalism. Further, relativistic effects on intensities are found to be comparable to differences arising from different approximations to the exchange part of the ion core potential.
Item Type: | Journal article |
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Faculties: | Geosciences > Department of Earth and Environmental Sciences > Crystallography and Materials Science |
Subjects: | 500 Science > 550 Earth sciences and geology |
URN: | urn:nbn:de:bvb:19-epub-5595-4 |
Language: | English |
Item ID: | 5595 |
Date Deposited: | 08. Aug 2008, 15:55 |
Last Modified: | 04. Nov 2020, 12:48 |