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Young’s moduli of ZnO nanoplates: Ab initio determinations
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10.1063/1.2374856
/content/aip/journal/apl/89/18/10.1063/1.2374856
http://aip.metastore.ingenta.com/content/aip/journal/apl/89/18/10.1063/1.2374856
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

(Color online) (a) Schematic of ZnO nanoplate in which large balls represent O atoms and small balls Zn atoms, (b) the simulation cell, and (c) strain energy vs strain along of a nanoplate of in thickness. Symbols A and B in (b) denote bonds within a pair of double layers and in between two pairs that will be discussed in Fig. 2.

Image of FIG. 2.
FIG. 2.

(Color online) (a) Young’s moduli of nanoplates as a function of size; (b) density contours of (valence) electrons near the (0001) surface in the wurtzite nanoplate. The inset of (b) are the contours in bulk ZnO for reference. The lines in (a) are for easier visualization only.

Image of FIG. 3.
FIG. 3.

(Color online) (a) Young’s moduli of nanoplates, (b) the top view of the atomic structure of the surface, and density contours of (valence) electrons at and ; the contour in bulk ZnO is shown for reference. The lines in (a) are for easier visualization only.

Image of FIG. 4.
FIG. 4.

(Color online) (a) Young’s moduli of nanoplates, (b) the top view of atomic structure of the surface, and the density contour of electrons at , , and , and that in the bulk for comparison. The lines in (a) are for easier visualization only.

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/content/aip/journal/apl/89/18/10.1063/1.2374856
2006-11-02
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Young’s moduli of ZnO nanoplates: Ab initio determinations
http://aip.metastore.ingenta.com/content/aip/journal/apl/89/18/10.1063/1.2374856
10.1063/1.2374856
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