Study of X-ray scattering in Be using Wannier functions
- 1 July 1980
- journal article
- Published by IOP Publishing in Journal of Physics F: Metal Physics
- Vol. 10 (7) , 1621-1626
- https://doi.org/10.1088/0305-4608/10/7/028
Abstract
Approximate Wannier functions for hexagonal close packed Be have been constructed from 2 s and 2 p atomic wavefunctions plus Schmidt orthogonalisation. It is shown that they give a useful representation of the Bragg reflection intensities except at the first reciprocal-lattice vector.Keywords
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