scholarly journals A new diffraction method to localize impurity atoms in a crystal lattice

1981 ◽  
Vol 37 (a1) ◽  
pp. C261-C261
Author(s):  
L. P. Cardoso ◽  
S. Caticha-Ellis
2014 ◽  
Vol 70 (a1) ◽  
pp. C1560-C1560
Author(s):  
Fumiko Kimura ◽  
Wataru Oshima ◽  
Hiroko Matsumoto ◽  
Hidehiro Uekusa ◽  
Kazuaki Aburaya ◽  
...  

In pharmaceutical sciences, the crystal structure is of primary importance because it influences drug efficacy. Due to difficulties of growing a large single crystal suitable for the single crystal X-ray diffraction analysis, powder diffraction method is widely used. In powder method, two-dimensional diffraction information is projected onto one dimension, which impairs the accuracy of the resulting crystal structure. To overcome this problem, we recently proposed a novel method of fabricating a magnetically oriented microcrystal array (MOMA), a composite in which microcrystals are aligned three-dimensionally in a polymer matrix. The X-ray diffraction of the MOMA is equivalent to that of the corresponding large single crystal, enabling the determination of the crystal lattice parameters and crystal structure of the embedded microcrytals.[1-3] Because we make use of the diamagnetic anisotropy of crystal, those crystals that exhibit small magnetic anisotropy do not take sufficient three-dimensional alignment. However, even for these crystals that only align uniaxially, the determination of the crystal lattice parameters can be easily made compared with the determination by powder diffraction pattern. Once these parameters are determined, crystal structure can be determined by X-ray powder diffraction method. In this paper, we demonstrate possibility of the MOMA method to assist the structure analysis through X-ray powder and single crystal diffraction methods. We applied the MOMA method to various microcrystalline powders including L-alanine, 1,3,5-triphenyl benzene, and cellobiose. The obtained MOMAs exhibited well-resolved diffraction spots, and we succeeded in determination of the crystal lattice parameters and crystal structure analysis.


MRS Bulletin ◽  
2001 ◽  
Vol 26 (12) ◽  
pp. 1005-1008 ◽  
Author(s):  
Moonsub Shim ◽  
Congjun Wang ◽  
David J. Norris ◽  
Philippe Guyot-Sionnest

Modern semiconductor technology has been enabled by the ability to control the number of carriers (electrons and holes) that are available in the semiconductor crystal. This control has been achieved primarily with two methods: doping, which entails the introduction of impurity atoms that contribute additional carriers into the crystal lattice; and charging, which involves the use of applied electric fields to manipulate carrier densities near an interface or junction. By controlling the carriers with these methods, the electrical properties of the semiconductor can be precisely tailored for a particular application. Accordingly, doping and charging play a major role in most modern semiconductor devices.


1991 ◽  
Vol 246 ◽  
Author(s):  
Yutaka Emura ◽  
Takuya Ohba ◽  
Kazuhiro Otsuka

AbstractCrystal structure of the ζ2' martensite in a Au-49.5at%Cd ally has been analyzed by the single crystal x-ray diffraction method. The crystal lattice was trigonal and the lattice constants were a:0.8095(3) and c=o.57940(6) nm. There were 18 atoms in a unit cell. The space group was P3, which was different from that previously determined by Vatanayon and Hehemann. The structure was refined by the full matrix least squares method to a final R factor of 7.8% and a weighted R factor of 4.1%.


2021 ◽  
Vol 24 (3) ◽  
pp. 255-260
Author(s):  
K.А. Ismailov ◽  
◽  
X.M. Iliev ◽  
M.O. Tursunov ◽  
B.K. Ismaylov ◽  
...  

Formation of complexes of impurity Mn atoms with impurity atoms of group VI elements (S, Se, Te) in the silicon crystal lattice has been studied. It has been experimentally found that formation of electrically neutral molecules with an ionic-covalent bond between Mn atoms and group VI elements takes place, which possibly leads to formation of new Si2BVI++Mn binary unit cells in the silicon crystal lattice. It has been shown that in the samples Si<S, Mn>, Si<Se, Mn> and Si<Te, Mn>, an intense complex formation occurs at the temperatures 1100, 820 and 650°C, respectively.


Crystals ◽  
2017 ◽  
Vol 7 (8) ◽  
pp. 237 ◽  
Author(s):  
Vladimir Nadolinny ◽  
Andrey Komarovskikh ◽  
Yuri Palyanov

2020 ◽  
Vol 62 (12) ◽  
pp. 930-935
Author(s):  
G. M. Poletaev ◽  
I. V. Zorya ◽  
R. Yu. Rakitin ◽  
M. D. Starostenkov

Effect of carbon and oxygen impurity atoms on diffusion along the tilt grain boundaries with <100> and <111> misorientation axis in metals with FCC lattice was studied by mean of molecular dynamics method. Ni, Ag, and Al were considered as metals. Interactions of metal atoms with each other were described by many-particle Clery-Rosato potentials constructed within the framework of tight binding model. To describe interactions of atoms of light elements impurities with metal atoms and atoms of impurities with each other, Morse pair potentials were used. According to obtained results, impurities in most cases lead to an increase in self-diffusion coefficient along the grain boundaries, which is caused by deformation of crystal lattice near the impurity atoms. Therefore, additional distortions and free volume are formed along the boundaries. It is more expressed for carbon impurities. Moreover, with an increase in concentration of carbon in the metal, an increase in coefficient of grain-boundary self-diffusion was observed first, and then a decrease followed. This behavior is explained by formation of aggregates of carbon atoms at grain boundary, which leads to partial blocking of the boundary. Oxygen atoms had smaller effect on diffusion along the grain boundaries, which is apparently explained by absence of a tendency to form aggregates and lesser deformation of crystal lattice around impurity. The greatest effect of impurities on self-diffusion along the grain boundaries among the examined metals was observed for nickel. Nickel has the smallest lattice parameter, impurity atoms deform its lattice around itself more than aluminum and silver, and therefore they create relatively more lattice distortions in it and additional free volume along the grain boundaries, which lead to an increase in diffusion permeability. Diffusion coefficients along the high-angle boundaries with misorientation angle of 30° turned out to be approximately two times higher than along low-angle boundaries with a misorientation angle of 7°. Diffusion along the <100> grain boundaries flowed more intensively than along the <111> boundaries.


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