Theoretical investigation of zero field splitting parameters for Mn2+ centres in L-asparagine monohydrate |
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| Authors: | Kripal Ram Pandey Shri Devi |
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| Affiliation: | EPR Laboratory, Department of Physics, University of Allahabad, Allahabad 211002, India. ram_kripal2001@rediffmail.com |
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| Abstract: | Zero-field splitting (ZFS) parameters D and E are calculated using the point-charge model (PCM) and superposition model (SPM) for Mn(2+) centre in L-asparagine monohydrate (LAM) single crystal. The calculated ZFS parameters obtained using these two models are compared with the experimental values for interstitial site of Mn(2+). The SPM and PCM give ZFS parameters similar to those of experimental ones. This supports the notion that the impurity ion occupies interstitial site in LAM. |
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