Special directions in momentum space. III. Practical applications

被引:3
|
作者
Kontrym-Sznajd, Grazyna [1 ]
机构
[1] Polish Acad Sci, Inst Low Temp & Struct Res, PL-50950 Wroclaw, Poland
关键词
special directions; Brillouin zone; symmetry; Compton scattering spectra; MAXIMUM-ENTROPY METHOD; BRILLOUIN-ZONE; FERMI-SURFACE; COMPTON-SCATTERING; POSITRON-ANNIHILATION; SPECIAL POINTS; ELECTRONIC-STRUCTURE; DENSITY DISTRIBUTION; RECONSTRUCTION; PROJECTIONS;
D O I
10.1107/S1600576714024121
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
This paper complements two previous papers devoted to Special directions in momentum space. I. Cubic and II. Hexagonal, tetragonal and trigonal symmetries [Kontrym-Sznajd & Samsel-Czekala (2011). J. Appl. Cryst.44, 1246-1254; Kontrym-Sznajd & Samsel-Czekala (2012). J. Appl. Cryst.45, 1254-1260], in which sets of special directions (SDs) were proposed. Such directions, employing the full symmetry of the Brillouin zone, allow for constructing in the whole space anisotropic quantities from their known values along a few directions. SDs also define which spectra, measured in, for example, Compton scattering experiments, are the most efficient for reconstructing three-dimensional densities from their one-dimensional projections. This paper, in which new sets of special directions (SDs) for cubic structures are proposed, is devoted mainly to practical applications of SDs. Taking into account experimental uncertainty, an optimal strategy for experimental investigations is discussed.
引用
收藏
页码:11 / 19
页数:9
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