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

doi:10.1063/1.2432170

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

Chemistry (Twin Cities)

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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 language	English (US)
Article number	031904
Journal	Applied Physics Letters
Volume	90
Issue number	3
DOIs	https://doi.org/10.1063/1.2432170
State	Published - 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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title = "Density functional theoretical determinations of electronic and optical properties of nanowires and bulks for CdS and CdSe",

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.",

author = "Huang, {S. P.} and Cheng, {W. D.} and Wu, {D. S.} and Hu, {J. M.} and J. Shen and Z. Xie and H. Zhang and Gong, {Y. J.}",

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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T1 - Density functional theoretical determinations of electronic and optical properties of nanowires and bulks for CdS and CdSe

AU - Huang, S. P.

AU - Cheng, W. D.

AU - Wu, D. S.

AU - Hu, J. M.

AU - Shen, J.

AU - Xie, Z.

AU - Zhang, H.

AU - Gong, Y. J.

N1 - 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).

PY - 2007

Y1 - 2007

N2 - 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.

AB - 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.

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

Abstract

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