title: Superposition model study of Cr3+ doped tetra methyl ammonium cadmium chloride.
abstract: The zero field splitting parameter D of Cr(3+) doped in tetra methyl ammonium cadmium chloride (TMCC) is calculated with perturbation formula using microscopic spin Hamiltonian theory and crystal field parameters from superposition model. The theoretically calculated ZFS parameter for Cr(3+) in TMCC single crystal is compared with the experimental value obtained by electron paramagnetic resonance (EPR). The local structure distortion is considered to obtain the crystal field parameters. The theoretical study gives the ZFS parameter D similar to that from experiment. However, calculation considering small distortion in local structure around Cr(3+) gives better agreement with the experimental value of ZFS parameter.
authors.affiliation: EPR Laboratory, Department of Physics, University of Allahabad, Allahabad 211002, India. Electronic address: ram_kripal2001@rediffmail.com.
authors.forename: Ram
authors.initials: R
authors.lastname: Kripal
authors.affiliation: EPR Laboratory, Department of Physics, University of Allahabad, Allahabad 211002, India. Electronic address: aky.physics@gmail.com.
authors.forename: Awadhesh Kumar
authors.initials: AK
authors.lastname: Yadav
mesh_terms: D064751:Ammonium Compounds / Q000737:chemistry*; D019256:Cadmium Chloride / Q000737:chemistry; D002857:Chromium / Q000737:chemistry*; D003460:Crystallization; D004578:Electron Spin Resonance Spectroscopy; D008956:Models, Chemical; D008958:Models, Molecular
chemical_list: D064751:Ammonium Compounds; D002857:Chromium; D019256:Cadmium Chloride
keywords: Crystal fields; Electron paramagnetic resonance; Inorganic compounds; Optical properties