Theoretical investigation for the EPR g-factors of the mixed ground state in NaCl: Ag2+ crystals |
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| Authors: | Li W L Li X M Feng W L Yang W J Tao C Y |
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| Institution: | Key Laboratory for Optoelectronic Technology and Systems, Ministry of Education, College of Optoelectronic Engineering, Chongqing University, Chongqing, 400044, China. |
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| Abstract: | In this paper, it is considered that the local structure of the (AgCl6)4- cluster for the NaCl: Ag2+ crystal is of the axially elongational D4h symmetry which possesses the weaker rhombic distortion at <001> lattice site. The mechanism for an admixture of the 2A1g into the ground state 2B1g is taken into account. The electron paramagnetic resonance (EPR) g factors of NaCl: Ag2+ are studied by using the double spin-orbit coupling model and an approximation of a semiempirical molecular orbit. The EPR g factors for the NaCl: Ag2+ crystals are reasonably explained as well as the good agreement between the calculated values and the experimental data is obtained. |
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