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The local distortions and electron paramagnetic resonance (EPR) parameters for Cu 2+  in lithium sodium borate (LNB) glasses  x Li 2 O·(30– x )·Na 2 O·69.5B 2 O 3  (5≤ x ≤25 mol%) are theoretically studied at various concentrations  x  in a consistent way. Owing to the Jahn–Teller effect, the [CuO 6 ] 10−  clusters are found to experience the significant tetragonal elongations of 16% along C 4  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 B 2 O 3  network by transforming some BO 3  units into BO 4  ones with variations in modifier Li 2 O concentration).

Studies of the Local Distortions and the EPR Parameters for Cu 2+ in x Li 2 O-(30– x )Na 2 O-69·5B 2 O Glasses