Electronic structure and optical properties of CdS{sub x}Se{sub 1−x} solid solution nanostructures from X-ray absorption near edge structure, X-ray excited optical luminescence, and density functional theory investigations

Journal Article · Fri Nov 21 00:00:00 EST 2014 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4902390· OSTI ID:22402668

Murphy, M. W. ^[1]; Sham, T. K. ^[2]; Ward, M. J. ^[3]; Liu, L. ^[4]; Hu, Y. ^[5]; Zapien, J. A. ^[6]; Liu, Yingkai ^[7]

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1. DESY (Deutsches Elektronen-Synchrotron), FS-PEX, Notkestrasse 85, 22607 Hamburg (Germany)
2. Department of Chemistry, University of Western Ontario, London, ON N6A5B7 (Canada)
3. Cornell High Energy Synchrotron Source (CHESS), Cornell University, Ithaca, NY 14853 (United States)
4. Institute of Functional Nano and Soft Materials (FUNSOM) and Soochow University-Western University Center for Synchrotron Radiation Research, Soochow University, Suzhou, Jiangsu, 215123 (China)
5. Canadian Light Source, University of Saskatchewan, Saskatoon, SK S7N2V3 (Canada)
6. Center Of Super-Diamond and Advanced Films (COSDAF) and Department of Physics and Materials Science, City University of Hong Kong, Hong Kong SAR (China)
7. Institute of Physics and Electronic Information, Yunnan Normal University, Kunming, Yunnan, 650500 (China)

The electronic structure and optical properties of a series of iso-electronic and iso-structural CdS{sub x}Se{sub 1−x} solid solution nanostructures have been investigated using X-ray absorption near edge structure, extended X-ray absorption fine structure, and X-ray excited optical luminescence at various absorption edges of Cd, S, and Se. It is found that the system exhibits compositions, with variable local structure in-between that of CdS and CdSe accompanied by tunable optical band gap between that of CdS and CdSe. Theoretical calculation using density functional theory has been carried out to elucidate the observations. It is also found that luminescence induced by X-ray excitation shows new optical channels not observed previously with laser excitation. The implications of these observations are discussed.

• OSTI ID: 22402668
• Journal Information: Journal of Applied Physics, Vol. 116, Issue 19; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
ABSORPTION
CADMIUM SELENIDES
CADMIUM SULFIDES
DENSITY FUNCTIONAL METHOD
ELECTRONIC STRUCTURE
EXCITATION
FINE STRUCTURE
LASERS
LUMINESCENCE
NANOSTRUCTURES
OPTICAL PROPERTIES
SOLID SOLUTIONS
X RADIATION