title: Theoretical investigation for the EPR g-factors of the mixed ground state in NaCl: Ag2+ crystals.
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.
authors.affiliation: Key Laboratory for Optoelectronic Technology and Systems, Ministry of Education, College of Optoelectronic Engineering, Chongqing University, Chongqing, 400044, China.
authors.forename: W L
authors.initials: WL
authors.lastname: Li
authors.forename: X M
authors.initials: XM
authors.lastname: Li
authors.forename: W L
authors.initials: WL
authors.lastname: Feng
authors.forename: W J
authors.initials: WJ
authors.lastname: Yang
authors.forename: C Y
authors.initials: CY
authors.lastname: Tao
mesh_terms: D003460:Crystallization; D004578:Electron Spin Resonance Spectroscopy; D008962:Models, Theoretical; D012834:Silver / Q000737:chemistry*; D012965:Sodium Chloride / Q000737:chemistry*
chemical_list: D012834:Silver; D012965:Sodium Chloride