This paper is devoted to the studies of the isotropic average of quantities in the momentum space having the full symmetry of the Brillouin zone. Such quantities, denoted here as f(p), can be expressed as a series of lattice harmonics F l, (,) of an appropriate symmetry [1,2] (1) where distinguishes harmonics of the same order and (,) are the azimuthal and polar angles of the direction p with respect to the reciprocal lattice coordinate system. Isotropic distributions f 0 (p) (f(p) averaged over angles (,)) are used in calculating many physical properties, e.g. the specifi c heat and Debye temperature [1,[3][4][5][6][7] and density of states in disorder systems [8,9], or (in some particular cases) in probing electron momentum densities via angular correlation of annihilation radiation (ACAR) [10,11], Compton scattering [12][13][14][15][16][17][18][19][20][21][22], and Doppler broadening spectra [23].In the previous paper, devoted to the cubic structures [24], we showed that for calculating the isotropic component, the common procedure of applying high symmetry directions (HSD) is the worst choice (the same occurs for the anisotropic components). In this paper, similar considerations are performed for the hcp structure, although obtained results may be generalized on all structures with the unique R-fold axes. For such structures with R = 6, 4, and 3 (hcp, tetragonal, and trigonal symmetry, respectively), the lattice harmonics having the full symmetry of the Brillouin zone have a very simple form:
Isotropic distributions in hcp crystalsGrażyna Kontrym-Sznajd Abstract. Some anisotropic quantities in crystalline solids can be determined from their knowledge along a limited number of sampling directions. The importance of the choice of such directions is illustrated on the example of estimating, from angular correlation of annihilation radiation data, the isotropic electron momentum density in Gd.