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Figure 5
The averaged momentum density of valence electrons n(p) in Zn, calculated from equation (5)[link]. Grey dotted vertical lines show the major lengths in the first BZ (see Fig. 1[link]) and the Fermi momentum pF. The experimental data are represented by solid black circles, and the theoretical KKR and DFT data are shown by solid red and blue lines, respectively. Both theoretical profiles were convoluted with a Gaussian of FWHM = 0.12 a.u. to mimic the resolution of the experimental data. The orange dashed line shows the modelled momentum density distribution as given by Brancewicz et al. (2013BB9), which leads [through equation (6)[link]] to the best description of measured CPs.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 28| Part 1| January 2021| Pages 188-195
https://doi.org/10.1107/S1600577520014721
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