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Theoretical investigation of optical and EPR spectra for nickel (II) in ANSH crystal |
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| Authors: | W-L Feng T-H Chen J-J Chen |
| Institution: | a Department of Applied Physics, Chongqing Institute of Technology, Chongqing 400054, PR China b Department of Physics and Electronic Information, China West Normal University, Nanchong 637002, PR China c Department of Physics and Electronic Information Engineering, Neijiang Normal College, Sichuan 641112, PR China |
| Abstract: | Based on the semi-self-consistent field (semi-SCF) d-orbital theory and point charge model, we have studied the optical spectra by the complete diagonalizing (of energy matrix) method (CDM) and electronic paramagnetic resonance (EPR) spectra by the perturbation theory method (PTM) for Ni2+ center in the ammonium nickel(II) sulfate hexahydrate (NH4)2Ni(SO4)·6H2O, abbr. ANSH] crystal. The structural parameters of the ANSH crystal have been obtained and theoretical results agree well with the experimental findings. |
| Keywords: | Optical properties Local lattice structure ANSH crystal Ni2+ |
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