Gregory McColm
Gregory McColm
The potential of mathematical crystallography as an emerging field is examined from a sociological point of view. Mathematical crystallography is unusual as an emerging field as it is also an old field, albeit scattered, with evidence of co...
Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments [0.03%]
基于高分辨率X射线衍射实验的多极模型结构参数和电子密度属性的统计分析
Radosław Kamiński,Sławomir Domagała,Katarzyna N Jarzembska et al.
Radosław Kamiński et al.
A comprehensive analysis of various properties derived from multiple high-resolution X-ray diffraction experiments is reported. A total of 13 charge-density-quality data sets of α-oxalic acid dihydrate (C2H2O4·2H2O) were subject to Hansen...
Darwin's approach to X-ray diffraction on lateral crystalline structures [0.03%]
达尔文法在侧向晶格结构X射线衍射中的应用
Vasily I Punegov,Sergey I Kolosov,Konstantin M Pavlov
Vasily I Punegov
Darwin's dynamical theory of X-ray diffraction is extended to the case of lateral (i.e., having a finite length in the lateral direction) crystalline structures. This approach allows one to calculate rocking curves as well as reciprocal-spa...
V M Talanov,V B Shirokov
V M Talanov
Group-theoretical methods of the Landau theory of phase transitions are used to investigate the structures of ordered spinels. The possibility of the existence is determined of 305 phases with different types of order in Wyckoff position 8a...
Niels Bindzus,Tine Straasø,Nanna Wahlberg et al.
Niels Bindzus et al.
Synchrotron powder X-ray diffraction data are used to determine the core electron deformation of diamond. Core shell contraction inherently linked to covalent bond formation is observed in close correspondence with theoretical predictions. ...
Brian K VanLeeuwen,Venkatraman Gopalan,Daniel B Litvin
Brian K VanLeeuwen
Rotation-reversal symmetry was recently introduced to generalize the symmetry classification of rigid static rotations in crystals such as tilted octahedra in perovskite structures and tilted tetrahedra in silica structures. This operation ...
Ma Louise Antonette N De Las Peñas,Mark L Loyola,Antonio M Basilio et al.
Ma Louise Antonette N De Las Peñas et al.
This work investigates the symmetry properties of single-wall carbon nanotubes and their structural analogs, which are nanotubes consisting of different kinds of atoms. The symmetry group of a nanotube is studied by looking at symmetries an...
Benjamin A Frandsen,Xiaohao Yang,Simon J L Billinge
Benjamin A Frandsen
The analytical form of the magnetic pair distribution function (mPDF) is derived for the first time by computing the Fourier transform of the neutron scattering cross section from an arbitrary collection of magnetic moments. Similar to the ...
William Ratcliff nd
William Ratcliff nd
The recent application of the total scattering method to magnetic systems is discussed. The ability to determine the magnetic pair distribution function opens the door to the study of local order in magnetic systems ranging from multiferroi...
Twisted homophase bilayers, stacks of two rotated monolayers such as graphene, exhibit remarkable physical properties absent in their constituent monolayers. The structure of bilayer systems is dominated by a moiré effect and critically de...