title: Crystal field effect and microscopic origins of the g-factors for 6S(3d5)-state ions at tetragonal symmetry crystal filed.
abstract: The crystal field effect and microscopic origins of the Zeeman g-factors g(//) and g(⊥) for (6)S(3d(5)) state ions at tetragonal symmetry crystal filed, taking into account the spin-spin (SS), the spin-other-orbit (SOO), and the orbit-orbit (OO) magnetic interactions besides the well-known spin-orbit (SO) magnetic interaction, have been investigated using the microscopic spin Hamiltonian theory and the complete diagonalization method (CDM). It is found that the g(//)(±1/2)≠g(//)(±5/2) and g(⊥)(±1/2)≠g(⊥)(±5/2), where the g-factors g(//)(±1/2) and g(⊥)(±1/2) express the g-factors of the ground state |M˜(s)=±1/2), whereas the g-factors g(//)(±5/2) and g(⊥)(±5/2) express the g-factors of the ground state |M˜(s)=±5/2). It is shown that although the SO magnetic interaction is the most important one, the contributions to the shifts of g-factors Δg(//)(=2.0023-g(//)) and Δg(⊥)(=2.0023-g(⊥)) from other three magnetic interactions including the SS, SOO, and OO magnetic interactions are appreciable and should not be omitted, especially for the shifts of g-factors Δg(//)(±5/2) and Δg(⊥)(±5/2). The individual contributions to the shifts of g-factors arising from the spin quartet states and spin doublet states have been studied. The investigations show that the Δg(//)(±1/2) and Δg(⊥)(±1/2) primarily result from the spin quartet states, whereas Δg(//)(±5/2) and Δg(⊥)(±5/2) from the spin quartet states as well as the combined effects between the spin quartet states and the spin doublet states. The contribution to the shifts of g-factors from the net spin doublet states is zero.
authors: Department of Physics and Information Technology, Baoji University of Arts and Science, Baoji, Shaanxi, China. yziyuan@163.com
authors: Zi-Yuan
authors: ZY
authors: Yang
mesh_terms: D003460:Crystallization; D007477:Ions; D008853:Microscopy; D008968:Molecular Conformation; D028561:Transition Elements / Q000737:chemistry*
chemical_list: D007477:Ions; D028561:Transition Elements