Complete Diagonalization Calculation of the Optical and EPR Data for the Tetragonal Cu^{2+} Center in Cu^{2+}-Doped ZnSe Nanocrystals

Wu, Xiao-Xuan; Zheng, Wen-Chen

doi:10.12693/APhysPolA.127.795

Journal

Acta Physica Polonica A

2015 | 127 | 3 | 795-798

Article title

Complete Diagonalization Calculation of the Optical and EPR Data for the Tetragonal Cu^{2+} Center in Cu^{2+}-Doped ZnSe Nanocrystals

Authors

Xiao-Xuan Wu , Wen-Chen Zheng

Content

Full texts:

http://przyrbwn.icm.edu.pl/APP/PDF/127/a127z3p26.pdf [remote]

Title variants

Languages of publication

Abstracts

By using the complete diagonalization (of energy matrix) method based on the cluster approach (where the admixture between the d orbitals of d^{n} ion and p orbitals of ligands due to covalence effect is considered), the optical and electron paramagnetic resonance data (three optical band positions and four EPR parameters g_{∥}, g_{⊥}, A_{∥}, A_{⊥}) are calculated for the tetragonal Cu^{2+} center in Cu^{2+}-doped poly vinyl alcohol (PVA) passivated ZnSe nanocrystals with the defect model of Cu^{2+} in the interstitial octahedral site in ZnSe. The calculated results are near the experimental values. The tetragonal elongation of the Cu^{2+} octahedral cluster in ZnSe nanocrystals is obtained. The results are discussed.

Keywords

76.30.Fc 71.70.Ch 78.40.Fy 75.10.Dg

Discipline

Publisher

Institute of Physics, Polish Academy of Sciences

Journal

Acta Physica Polonica A

Year

2015

Volume

127

Issue

Pages

795-798

Physical description

Dates

published

2015-03

received

2014-04-24

(unknown)

2014-12-12

Contributors

author

Xiao-Xuan Wu

Department of Physics, Civil Aviation Flight University of China, Guanghan, People's Republic of China

author

Wen-Chen Zheng

Department of Material Science, Sichuan University, Chengdu 610064, People's Republic of China

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Document Type

Publication order reference

Identifiers

DOI

10.12693/APhysPolA.127.795

YADDA identifier

bwmeta1.element.bwnjournal-article-appv127n326kz