First-principles calculation of the band structure, electronic states, and optical properties of Cr-doped ZnS double-wall nanotubes

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

Overview

21 Scopus Citations

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Author(s)

Yuhong Huang
Zongquan Zhang
Fei Ma
Cuiping Dong
Xiumei Wei

Detail(s)

Original language	English
Pages (from-to)	1-7
Journal / Publication	Computational Materials Science
Volume	101
Online published	2 Feb 2015
Publication status	Published - 15 Apr 2015

Link(s)

DOI	DOI https://doi.org/10.1016/j.commatsci.2015.01.011 Final Published version
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Link to Scopus	https://www.scopus.com/record/display.uri?eid=2-s2.0-84922019569&origin=recordpage
Permanent Link	https://scholars.cityu.edu.hk/en/publications/publication(01fdadec-f19e-42dc-8ce5-b8e8d8fa550a).html

Abstract

The density functional theory (DFT) and generalized gradient approximation plus U (GGA+U) are adopted to investigate the effects of chromium (Cr) doping on the band structure, density of states (DOS), dielectric functions, and optical absorption of (4,4)

Research Area(s)

Doping, Double-wall nanotubes, First-principles calculation, Optical properties, ZnS

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Optical Properties Keyphrases

First-principles Ca... Keyphrases

Banded Structure Keyphrases

Electronic States Keyphrases

State Property Keyphrases

Doped ZnS Keyphrases

Chromium-doped Keyphrases

Double-walled Nanot... Keyphrases

Nanotube Engineering

Band Structure Engineering

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Citation Format(s)

[ RIS ] [ BibTeX ]

First-principles calculation of the band structure, electronic states, and optical properties of Cr-doped ZnS double-wall nanotubes. / Huang, Yuhong; Zhang, Zongquan; Ma, Fei et al.
In: Computational Materials Science, Vol. 101, 15.04.2015, p. 1-7.

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

Huang, Y, Zhang, Z, Ma, F, Chu, PK, Dong, C & Wei, X 2015, 'First-principles calculation of the band structure, electronic states, and optical properties of Cr-doped ZnS double-wall nanotubes', Computational Materials Science, vol. 101, pp. 1-7. https://doi.org/10.1016/j.commatsci.2015.01.011

Huang, Y., Zhang, Z., Ma, F., Chu, P. K., Dong, C., & Wei, X. (2015). First-principles calculation of the band structure, electronic states, and optical properties of Cr-doped ZnS double-wall nanotubes. Computational Materials Science, 101, 1-7. https://doi.org/10.1016/j.commatsci.2015.01.011

Huang Y, Zhang Z, Ma F, Chu PK, Dong C, Wei X. First-principles calculation of the band structure, electronic states, and optical properties of Cr-doped ZnS double-wall nanotubes. Computational Materials Science. 2015 Apr 15;101:1-7. Epub 2015 Feb 2. doi: 10.1016/j.commatsci.2015.01.011

Huang, Yuhong ; Zhang, Zongquan ; Ma, Fei et al. / First-principles calculation of the band structure, electronic states, and optical properties of Cr-doped ZnS double-wall nanotubes. In: Computational Materials Science. 2015 ; Vol. 101. pp. 1-7.