Research of the g factors, optical band positions and local structure for the tetragonal octahedral (CrO6)7− clusters in glasses. (17th October 2016)

• Record Type: Journal Article
• Authors: Mei, Yang; Zheng, Wen-Chen; Zhang, Xin-Xin
• Is Part Of: Molecular physics. Volume 114:Number 20(2016)
• Page Start: 2944
• Page End: 2947
• Publication Date: 2016-10-17
• Subjects: Electron paramagnetic resonance -- optical spectra -- crystal- and ligand-field theory -- Cr5+ -- glasses; 76.30Fc -- 71.70Ch -- 75.10Dg -- 78.40Ha; Molecules -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Molécules -- Périodiques; Chimie physique et théorique -- Périodiques; 539.6.05
• DOI: 10.1080/00268976.2016.1210832
• Languages: English
• ISSNs: 0026-8976

Abstract

ABSTRACT: The electron paramagnetic resonance g factors g //, g ⊥ and also the optical band positions of the tetragonal (CrO6 ) 7− octahedral clusters in glasses are calculated from the high-order perturbation formulas (in which the needed crystal-field (CF) energy levels correspond to the optical band positions). The formulas are founded on the two-mechanism model which takes account of both the contribution to g factors from the widely used CF mechanism and that from the frequently neglected charge-transfer (CT) mechanism. The calculated results are in rational agreement with the experimental values, suggesting that the contribution to g factors from CT mechanism should be considered. The local structure of (CrO6 ) 7− clusters in glasses is also acquired from the calculation. The results are discussed. Abstract :