Coincidence-site lattices and complete pattern-shift in cubic crystals

Grimmer, H.; Bollmann, W.; Warrington, D. H.

doi:10.1107/s056773947400043x

Cited by 463 publications

(227 citation statements)

References 10 publications

(12 reference statements)

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“…The misorientation between two grains is defined as a rotation transformation between the two Cartesian coordinate systems attached to the native crystallographic systems of the neighboring grains so it is deduced from the orientation matrices. The coincidence site lattice theory (CSL-theory) describes the misorientation of the neighboring grains for special low energy arrangements (Grimmer et al, 1974) but does not specify the orientation of the boundary plane between them.…”

Section: Introductionmentioning

confidence: 99%

A Tool for Local Thickness Determination and Grain Boundary Characterization by CTEM and HRTEM Techniques

et al. 2015

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A new approach to the measurement of the local thickness and characterization of grain boundaries is presented. The method is embodied in a software tool that helps finding and setting sample orientations useful for high resolution transmission electron microscopy examination of grain boundaries in polycrystalline thin films.The novelty is the simultaneous treatment of the two neighboring grains and orienting both grains and the boundary plane simultaneously. The same metric matrix based formalism is used for all crystal systems. Input to the software tool includes orientation data for the grains in question, which is determined automatically for a large number of grains by the commercial ASTAR program. Our software also helps identifying grains in a noisy orientation map. The grain boundaries suitable for HRTEM examination are automatically identified by our software tool. Individual boundaries are selected manually for detailed HRTEM examination from the automatically identified set. Goniometer settings needed to observe the selected boundary in HRTEM are advised by the software. Operation is demonstrated on examples from the cubic and hexagonal crystal systems.

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Section: Introductionmentioning

confidence: 99%

A Tool for Local Thickness Determination and Grain Boundary Characterization by CTEM and HRTEM Techniques

et al. 2015

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“…Within the CuðIn; GaÞSe 2 thin film in the ZnO=CdS=CuðIn; GaÞSe 2 =Mo glass stack studied for the present work, AE3 [16] TBs and non-AE3 GBs, which will be termed random in the following, were identified in HR-STEM images. By means of spatially resolved EELS measurements, the elemental occupations of the individual atomic columns were determined.…”

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confidence: 99%

Direct Insight into Grain Boundary Reconstruction in PolycrystallineCu(In,Ga)Se2with Atomic Resolution

Abou‐Ras

Schaffer

et al. 2012

Phys. Rev. Lett.

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This work presents results from high-resolution scanning transmission electron microscopy and electron energy-loss spectroscopy on twin boundaries (TBs) and nontwin grain boundaries (GBs) in CuðIn; GaÞSe 2 thin films. It is shown that the atomic reconstruction is different for different symmetries of the grain boundaries. We are able to confirm the model proposed by Persson and Zunger [Phys. Rev. Lett. 91, 266401 (2003)] for Se-Se-terminated AE3 f112g TBs, showing Cu depletion and In enrichment in the two atomic planes closest to the TB. On the contrary, Cu depletion without In enrichment is detected for a cation-Se-terminated TB. At nontwin GBs, always a strong anticorrelation of Cu and In signals is detected suggesting that the formation of In Cu or Cu In antisites within a very confined region of smaller than 1 nm is an essential element in the reconstruction of these GBs.

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“…When good matching correspondence holds only between partial points within a cluster, a secondary preferred state (coincidence coherent state) may be developed from a 2D GMS cluster. 25 As explained in the CSL/DSC theory, 30,32 the Burgers vectors of the secondary dislocations between intimate GMS clusters must be from a DSC lattice (here DSC is a term for complete pattern shift as suggested by Bollmann 30 ). When the good matching criterion of 25%|b s | is used, adjacent GMS clusters will meet if the DSC vector for the dislocations between the clusters is smaller than |b s |/4.…”

Section: Integrated Frameworkmentioning

confidence: 99%

Faceted interfaces: a key feature to quantitative understanding of transformation morphology

Zhang

Dai

2016

npj Comput Mater

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Faceted interfaces are a typical key feature of the morphology of many microstructures generated from solid-state phase transformations. Interpretation, prediction and simulation of this faceted morphology remain a challenge, especially for systems where irrational orientation relationships (ORs) between two phases and irrational interface orientations (IOs) are preferred. In terms of structural singularities, this work suggests an integrated framework, which possibly encompasses all candidates of faceted interfaces. The structural singularities are identified from a matching pattern, a dislocation structure and/or a ledge structure. The resultant singular interfaces have discrete IOs, described with low-index g's (rational orientations) and/or Δg's (either rational or irrational orientations). Various existing models are grouped according to their determined results regarding the OR and IO, and the links between the models are clarified in the integrated framework. Elimination of defect types as far as possible in a dominant singular interface often exerts a central restriction on the OR. An irrational IO is usually due to the elimination of dislocations in one direction, i.e., an O-line interface. Analytical methods using both three-dimensional and two-dimensional models for quantitative determinations of O-line interfaces are reviewed, and a detailed example showing the calculation for an irrational interface is given. The association between structural singularities and local energy minima is verified by atomistic calculations of interfacial energies in fcc/bcc alloys where it is found that the calculated equilibrium cross-sections are in a good agreement with observations from selected alloys.

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Coincidence-site lattices and complete pattern-shift in cubic crystals

Cited by 463 publications

References 10 publications

A Tool for Local Thickness Determination and Grain Boundary Characterization by CTEM and HRTEM Techniques

A Tool for Local Thickness Determination and Grain Boundary Characterization by CTEM and HRTEM Techniques

Direct Insight into Grain Boundary Reconstruction in PolycrystallineCu(In,Ga)Se2with Atomic Resolution

Faceted interfaces: a key feature to quantitative understanding of transformation morphology

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