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Ab initio thermodynamic model to assess stability of heterostructure nanocrystals
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10.1063/1.3330924
/content/aip/journal/apl/96/10/10.1063/1.3330924
http://aip.metastore.ingenta.com/content/aip/journal/apl/96/10/10.1063/1.3330924

Figures

Image of FIG. 1.
FIG. 1.

Schematic of heterostructure NCs considered in this study: (a) core-shell nanoparticle, (b) core-shell nanowire, and (c) nanowire with an axial heterojunction.

Image of FIG. 2.
FIG. 2.

Calculated enthalpy of mixing and lattice parameter (inset) of a homogeneous alloy as a function of CdSe composition for the wurtzite and zincblende phases. Also shown are the experimental values of the lattice parameter, taken from Ref. 7 .

Image of FIG. 3.
FIG. 3.

Critical bulk mixing temperature above which the mixing reaction is expected to occur with all systems involved being either in the wurtzite or zincblende bulk phases.

Image of FIG. 4.
FIG. 4.

Mixing temperature [Eq. (3) ] as a function of size for wurtzite heterostructure NCs containing equal mole fractions of CdSe and CdTe. The dashed line indicates the limiting mixing temperature for this composition.

Tables

Generic image for table
Table I.

Energy (in ) of various types of zincblende and wurtzite interfaces.

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/content/aip/journal/apl/96/10/10.1063/1.3330924
2010-03-10
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Ab initio thermodynamic model to assess stability of heterostructure nanocrystals
http://aip.metastore.ingenta.com/content/aip/journal/apl/96/10/10.1063/1.3330924
10.1063/1.3330924
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