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Electron momentum density of hexagonal Zn studied by high-resolution Compton scattering

JOURNAL OF SYNCHROTRON RADIATION(2021)

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摘要
High-resolution (0.12 a.u.) electron momentum density projections (Compton profiles) of a hexagonal Zn single crystal have been measured along five high-symmetry directions in reciprocal space. The experiment was performed with the use of 115.6 keV synchrotron radiation on the BL08W station at SPring-8. The quality of the measured Compton profiles is significantly better than that of previous medium- and high-resolution data. The experimental data were compared with the corresponding theoretical Korringa-Kohn-Rostoker (KKR) and density functional theory (DFT) calculations. Some minor and major differences between the two theoretical band-structure calculations have been observed. However, the good quality experimental results indicate their better agreement with DFT.
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关键词
Compton scattering,Compton profiles,Compton profile anisotropy,electron momentum density distribution,Korringa-Kohn-Rostoker (KKR) calculations,density functional theory (DFT) calculations
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