J. Appl. Cryst.の発刊に際して
Citations
46 citations
Cites background or methods from "J. Appl. Cryst.の発刊に際して"
...…from diffuse diffraction data (including measurement and appropriate application of corrections in order to prepare the data for integration) and computational modeling are much more complex (Weber & Bürgi, 2002; Bürgi et al., 2005; Michels-Clark et al., 2013; Welberry & Goossens, 2008)....
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...…e-mail: choffmann@ornl.gov Evidence is mounting that potentially exploitable properties of technologically and chemically interesting crystalline materials are often attributable to local structure effects, which can be observed as modulated diffuse scattering (mDS) next to Bragg diffraction (BD)....
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...In principle, a much smaller step size may be needed to extract the diffuse intensities and their associated standard uncertainties for quantitative computational modeling (Michels-Clark et al., 2013) as the grid definition is not restricted by the necessity of integer HKL values....
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46 citations
Cites methods from "J. Appl. Cryst.の発刊に際して"
...All final models were validated by PROCHECK (Laskowski et al., 1993)....
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46 citations
Cites background or methods from "J. Appl. Cryst.の発刊に際して"
...However, the signature of defect cores, socalled Laue scattering (Larson & Schmatz, 1980) or structural diffuse scattering (Ehrhart et al., 1982), whose extent is limited in real space, is very diffuse in reciprocal space (Krivoglaz, 1969; Fultz & Howe, 2007) and orders of magnitude weaker than the…...
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...…the perfect crystal lattice and has been successfully used to characterize elastic strain in isolated crystals (Beutier et al., 2012) and to show the presence of crystal defects such as stacking faults (Chamard et al., 2008; Favre-Nicolin et al., 2010) and dislocation loops (Jacques et al., 2011)....
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...…their frequent occurrence in nanowires with low SFE (one-dimensional systems) has already motivated numerous studies of such materials using CXD (Chamard et al., 2008; Favre-Nicolin et al., 2010; Jacques et al., 2013): it has been used to evaluate the number of stacking faults in an InSb pillar…...
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...In recent years, this limitation has been lifted by the introduction of ptychography, a scanning version of CDI: with scanning steps smaller than the beam size, sufficient redundancy is obtained in the data to allow the reconstruction of extended objects with the help of dedicated algorithms…...
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...48, 621–644 (Chamard et al., 2008; Favre-Nicolin et al., 2010), and dislocations in charge and spin density waves (Le Bolloc’h et al., 2005; Jacques et al., 2009)....
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46 citations
Cites background or methods from "J. Appl. Cryst.の発刊に際して"
...Crystal structures were solved by direct methods and refined in the spherical-atom approximation using SHELXL2012 (Sheldrick, 2008) from the WinGX suite (Farrugia, 1999)....
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...Which conformation and which synthon is preferred in any instance depend on the structure of the coformer, the presence of auxiliary molecules and other experimental variables....
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46 citations
Cites methods from "J. Appl. Cryst.の発刊に際して"
...The SeMet substructure of the SeMet derivative crystals was solved with SHELXD [17]....
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References
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