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Density functional theoretical determinations of electronic and optical properties of nanowires and bulks for CdS and CdSe
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10.1063/1.2432170
/content/aip/journal/apl/90/3/10.1063/1.2432170
http://aip.metastore.ingenta.com/content/aip/journal/apl/90/3/10.1063/1.2432170
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

(Color online) (a) Top view of a CdS or CdSe supercell having wurtzite structure. (b) The supercell that has infinite length along the [0001] direction. (c) Top view of the optimized CdS or CdSe NW. Orange circles represent S or Se atoms and yellow circles denote Cd atoms.

Image of FIG. 2.
FIG. 2.

(Color online) Band structure of (a) bulk CdSe and (b) the CdSe NW. Density of states of (c) the CdS NW and (d) the CdSe NW.

Image of FIG. 3.
FIG. 3.

(Color online) (a) Highest occupied valence band and (b) the lowest unoccupied conduction band of the CdS NW at point.

Image of FIG. 4.
FIG. 4.

(Color online) (a) Dielectric function along the [0001] direction of bulk CdSe and the CdSe NW. (b) The birefringence of CdS and CdSe bulks and NWs. (c) Absorption and (d) loss function along the [0001] direction of CdS and CdSe NWs and bulk CdSe.

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/content/aip/journal/apl/90/3/10.1063/1.2432170
2007-01-16
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Density functional theoretical determinations of electronic and optical properties of nanowires and bulks for CdS and CdSe
http://aip.metastore.ingenta.com/content/aip/journal/apl/90/3/10.1063/1.2432170
10.1063/1.2432170
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