A high-resolution Compton scattering study of hexagonal zinc

Electronic Origin of the Structural Anomalies of Zinc and Cadmium

“…), using a γ ‐ray source. For the [110] (equivalent to [100]) and the [001] directions of zinc, Compton profiles were measured with a resolution of 0.15 a.u 21. The [423] direction, representing interplanar bonds, was never probed before.…”

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

“…High-resolution (0.16 a.u.) CPs of hexagonal Zn have already been measured with the use of 57 keV synchrotron radiation along the ÀA, ÀK and ÀH directions at the ESRF on beamline ID15B (Bellin et al, 2004). The results obtained exhibited a rather low statistical value and showed evident discrepancies between experiment and KKR calculations, especially in the low momentum region, where the sharp fermiology features predicted by KKR calculations should be observed.…”

“…The electronic structure of Zn ([Ar] 3d 10 4s 2 ) and other divalent hexagonal close-packed (hcp) transition metals like Mg ([Ne] 3s 2 ) and Cd ([Kr] 4d 10 5s 2 ) have been the subject of experimental (Joseph & Gordon, 1962;Steenhaut & Goodrich, 1970;Almond et al, 1975;Perkkiö et al, 1991;Reniewicz et al, 2001;Bellin et al, 2004;Brancewicz et al, 2007) and theoretical (Harrison, 1962;Stark & Falicov, 1967;Borghese & Denti, 1971Daniuk et al, 1989;Novikov et al, 1999) studies for many years. Experimental data concerned with the electronic structure of these relatively simple metals, where crystal symmetry mainly determines the behaviour of the conduction electrons, are of relevance to ab initio bandstructure calculations.…”

“…Subtraction of two directional CPs, measured at two specific crystallographic directions, removes all isotropic components from the CPs (i.e. core electrons and background contributions) and forms the so-called difference profiles (anisotropies), which reveal the anisotropy of the electron momentum density distribution associated with the crystal symmetry and the shape of the Fermi surface (fermiology) of the studied material (Sakurai et al, 1995;Hä mä lä inen et al, 1996;Dugdale et al, 2000;Reniewicz et al, 2001;Mizusaki et al, 2003;Bellin et al, 2004;Dugdale et al, 2006;Brancewicz et al, 2007;Huotari et al, 2007;Choudhary et al, 2011;Brancewicz et al, 2013;Sharma et al, 2015).…”

“…(i) Comparison of the results of similar (but not identical) measurements made on synchrotrons at two locations with the use of different synchrotron radiation energies [57 keV at ESRF (Bellin et al, 2004) and 115.6 keV at SPring-8 (current data)] and using different procedures for experimental data analysis. In order to improve the statistics we decided to use samples over 1 mm thick (Table 1).…”