Mechanism, Configuration and Electronic Structure of ZnO Nanoparticles Formed by Zn Ions Implantation into CaF2 Matrix

Chem. J. Chinese Universities ›› 2005, Vol. 26 ›› Issue (12): 2306.

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Mechanism, Configuration and Electronic Structure of ZnO Nanoparticles Formed by Zn Ions Implantation into CaF₂Matrix

QIU Yong-Qing^1,2,LIU Yi-Chun^1,2*, SHEN De-Zhen¹, FAN Xi-Wu¹

1. Key Laboratory of Excited State Physics, Changchun Institute of Optics Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130021, China;
2. Advanced Center for Opto-electronic Functional Material Research, Northeast Normal University, Changchun 130024, China

Received:2004-11-10 Online:1905-03-14 Published:1905-03-14
Contact: LIU Yi-Chun;E-mail:ycliu@nenu.edu.cn

Abstract

Abstract:

By implantating high energy Zn ion into CaF₂matrix, the concentration of the implanted ions has a Gaussian′s distribution below the surface of the CaF₂, and ZnO quantum dots can be obtained by thermal annealing.Based on the theory of quantum chemistry, using Materials Studio and Gaussian 98 W programs, the electronic structure and optical properties of ZnO nanoparticles on GaF₂matrix were analysized. Selecting four of super-cells from the basal cells of ZnO, the absorption spectra of ZnO were calculated, and the result corresponds to the experimental one. The investigation of electionic structure of ZnO shows that the interaction of ZnO with GaF₂ matrix is mainly from the interaction of O atom on ZnO surface with Ca, this interaction leads to the narrow of Fermi energy level and decrease of energy gap. The change of the structure of ZnO surface did not affect the diagnostic absorption spectra, the theoretical results are the same as the experimental ones.

Key words: ZnO nanoparticles; Electronic structure; Optical property, ZnO nanoparticles, Electronic structure, Optical property

CLC Number:

O641

TrendMD:

QIU Yong-Qing, LIU Yi-Chun, SHEN De-Zhen, FAN Xi-Wu. Mechanism, Configuration and Electronic Structure of ZnO Nanoparticles Formed by Zn Ions Implantation into CaF₂Matrix[J]. Chem. J. Chinese Universities, 2005, 26(12): 2306.

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Mechanism, Configuration and Electronic Structure of ZnO Nanoparticles Formed by Zn Ions Implantation into CaF₂Matrix

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