Studies of the Local Distortions and the EPR Parameters for Cu2+ in xLi2O-(30–x)Na2O-69·5B2O Glasses

Chang-Chun Ding; Shao-Yi Wu; Min-Quan Kuang; Xian-Fen Hu; Guo-Liang Li

doi:10.1515/zna-2015-0453

Article

Studies of the Local Distortions and the EPR Parameters for Cu²⁺ in xLi₂O-(30–x)Na₂O-69·5B₂O Glasses

Chang-Chun Ding , Shao-Yi Wu , Min-Quan Kuang , Xian-Fen Hu and Guo-Liang Li

Published/Copyright: January 20, 2016

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From the journal Zeitschrift für Naturforschung A Volume 71 Issue 3

Abstract

The local distortions and electron paramagnetic resonance (EPR) parameters for Cu²⁺ in lithium sodium borate (LNB) glasses xLi₂O·(30–x)·Na₂O·69.5B₂O₃ (5≤x≤25 mol%) are theoretically studied at various concentrations x in a consistent way. Owing to the Jahn–Teller effect, the [CuO₆]¹⁰⁻ clusters are found to experience the significant tetragonal elongations of 16% along C₄ axis. Despite the nearly unchanging observed g factors, measured d–d transition band (or cubic field parameter Dq) shows remarkable linear increases with concentration x, whose influences on g_‖ and g_⊥ are actually cancelled by the linearly increasing covalency factor N and relative elongation ratio η with x. The almost unvarying hyperfine structure constants are attributed to the fact that the influences of the linearly increasing N and the linearly decreasing core polarisation constant κ largely cancel one another. The microscopic mechanisms of the above concentration dependences for these quantities are illustrated from mixed alkali effect (modification of B₂O₃ network by transforming some BO₃ units into BO₄ ones with variations in modifier Li₂O concentration).

Keywords: Defect Structures; Electron Paramagnetic Resonance; Cu2+; xLi2O·(30–x)·Na2O·69.5B2O3 Glasses

Corresponding authors: Chang-Chun Ding and Shao-Yi Wu, Department of Applied Physics, School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu 610054, PR China, E-mail: ccding626@163.com (C.-C. Ding); wushaoyi@uestec.edu.cn (S.-Y. Wu)

Acknowledgments

This work was financially supported by “the Sichuan Province Academic and Technical Leaders Support Fund” (Y02028023601032) and “the Fundamental Research Funds for the Central Universities” (ZYGX2014J136).

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Received: 2015-10-26

Accepted: 2015-12-17

Published Online: 2016-1-20

Published in Print: 2016-3-1

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Articles in the same Issue

https://doi.org/10.1515/zna-2015-0453

Keywords for this article

Defect Structures; Electron Paramagnetic Resonance; Cu2+; xLi2O·(30–x)·Na2O·69.5B2O3 Glasses