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Lee, Geunsik
Electronic Structure and Transport in Condensed Materials
Research Interests
  • open quantum system, non-equilibrium electron transport
  • electron correlation, dynamical mean field theory
  • 2D materials, metal complexes

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Electronic structure and optical absorption spectra of CdSe covered with ZnSe and ZnS epilayers

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Title
Electronic structure and optical absorption spectra of CdSe covered with ZnSe and ZnS epilayers
Other Titles
Electronic structure and optical absorption spectra of CdSe covered with ZnSe and ZnS epilayers
Author
Yun, So JeongLee, GeunsikKim, Jai SamShin, Seung KooYoon, Young-Gui
Issue Date
2006-02
Publisher
PERGAMON-ELSEVIER SCIENCE LTD
Citation
SOLID STATE COMMUNICATIONS, v.137, no.6, pp.332 - 337
Abstract
Using the first-principles methods we compute the electronic structure and the absorption spectra for a wurtzite CdSe (0001) slab covered with zincblende ZnSe and ZnS epilayers. For each structure we compute the DOS and the imaginary part of the dielectric function. We find that the semiconductor passivation shifts the 'near Fermi-level' states of the bare CdSe slab down to lower energy levels. The migration suggests the decrease of surface effects and energy loss. We observe the substantial reduction of the abnormal peaks in the absorption spectra of the bare CdSe slab, which seems to be a consequence of the DOS migration. This is consistent with the experimental results that a proper passivation enhance the luminescence efficiency. We also study the case that the epilayer surface is terminated with PH3 and find the PH3 passivation also reduces the surface state to some extent. (c) 2005 Elsevier Ltd. All rights reserved
URI
https://scholarworks.unist.ac.kr/handle/201301/13293
URL
http://www.sciencedirect.com/science/article/pii/S0038109805008860
DOI
10.1016/j.ssc.2005.10.029
ISSN
0038-1098
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