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
• Languages of publication: EN

Abstracts

EN

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

EN

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

Discipline

• 71.70.Ch: Crystal and ligand fields
• 76.30.Fc: Iron group (3d) ions and impurities (Ti-Cu)
• 75.10.Dg: Crystal-field theory and spin Hamiltonians(see also 71.70.Ch Crystal and ligand fields)
• 78.40.Fy: Semiconductors

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2015
• Volume: 127
• Issue: 3
• Pages: 795-798

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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Identifiers

DOI

10.12693/APhysPolA.127.795