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Formation of a low energy grain boundary in ZnO: The structural unit concept in hexagonal symmetry materials
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Image of FIG. 1.
FIG. 1.

The STGB at : in the dichromatic complex, the CSL has been underlined, the Burgers circuits around the side and diagonal , mapped in crystal, they give primary dislocations of and , respectively.

Image of FIG. 2.
FIG. 2.

The grain boundary characteristics: Dichromatic complex for the rotation angle is , the primary dislocation in the STGB side of the CSL corresponds to .

Image of FIG. 3.
FIG. 3.

(a) The atomic configuration of the boundary plane with 5/7 structural units and Burgers vector content per period. (b) The most energetically favorable atomic configuration of the boundary, the five structural units dislocations in one period are in bold.

Image of FIG. 4.
FIG. 4.

(a) A diffraction pattern recorded on a cross section sample close to the ZnO/sapphire interface: (1) zone axis and (2) zone axis. (b) Cross section HRTEM image showing two zone axes of the ZnO film, four domains are visible: (1) along and (2) along .

Image of FIG. 5.
FIG. 5.

(a) Plan view of the ZnO film typical TEM micrograph of the sample. (b) The corresponding selected area diffraction pattern.

Image of FIG. 6.
FIG. 6.

A HRTEM micrograph of the investigated boundary showing the periods (: ), the interface plane has been underlined (white line), the circuit in one period , has been mapped in crystal and the Burgers vectors content of each period is graphically determined.

Image of FIG. 7.
FIG. 7.

Atomic models of the boundary plane, the Burgers vectors of the primary dislocations have been determined graphically by the circuit mapping procedure. (a) The model. (b)The corresponding simulated image (defocus , thickness: 5 nm). (c) The 5/7 atom-rings zig-zag atomic configuration. (d) The corresponding simulated image [same conditions as in Fig. 7(b)], the two Burgers vectors within one period have been marked .

Image of FIG. 8.
FIG. 8.

The atomic structure of the boundary plane. (a) The straight 5/7 atom-rings model, (b) the corresponding simulated image [same conditions as in Fig. 7(c)]. Four periods of the experimental STGB, one period (white arrow) and the two Burgers vectors have been marked.

Image of FIG. 9.
FIG. 9.

The 4810 atomic structure of the boundary plane, the Burgers vector content is .


Generic image for table
Table I.

Atomic configurations of simulated in the shell model.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Formation of a low energy grain boundary in ZnO: The structural unit concept in hexagonal symmetry materials