Density functional theoretical determinations of electronic and optical properties of nanowires and bulks for CdS and CdSe

S. P. Huang, W. D. Cheng, D. S. Wu, J. M. Hu, J. Shen, Z. Xie, H. Zhang, Y. J. Gong

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Abstract

The authors present density functional theoretical results of electronic and optical properties of wurtzite-type CdS and CdSe semiconductor nanowires and bulks. The results show that quantum confinement will increase the energy gap, decrease the dielectric function, change the sign of birefringence, and increase the absolute value of birefringence at low-frequency region, as the dimensions of CdS and CdSe are reduced from the bulk to a nanowire with diameter of several nanometers. The optical spectral peaks of CdSe nanowires show redshifts as compared with the corresponding ones of CdS nanowires.

Original languageEnglish (US)
Article number031904
JournalApplied Physics Letters
Volume90
Issue number3
DOIs
StatePublished - 2007

Bibliographical note

Funding Information:
This work was supported by National Basic Research Program of China (No. 2004CB720605), National Natural Science Foundation of China under projects (No. 20373073), Science Foundation of the Fujian Province (No. E0210028), and Foundation of State Key Laboratory of Structural Chemistry (No. 060007).

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