Open AccessMicroscopic origins of the spin-Hamiltonian parameters for 3d2 state ions in a crystal
Author(s) -
Yang Zi-yuan
Publication year - 2004
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.53.1981
Subject(s) - hamiltonian (control theory) , coupling (piping) , physics , ion , spin–orbit interaction , condensed matter physics , coupling parameter , field (mathematics) , spin (aerodynamics) , atomic physics , quantum mechanics , molecular physics , materials science , thermodynamics , mathematical optimization , mathematics , pure mathematics , metallurgy
By adopting the intermediate-field scheme, the microscopic origins of the spin-Hamiltanian (SH) parameters for 3d2ion at trigonal (C3v, D3, D3d) symmetry, taking into account the spinspin(SS) and spin-other-orbit(SOO) coupling interactions omitted in previous publications, have been investigated on the basis of complete diagonalization method(CDM). We find that the SH parameters arise from four microscopic mechanisms, i.e. (1) Spin-orbit(SO) coupling mechanism; (2) SS coupling mechanism; (3) SOO coupling mechanism; (4) SO-SS-SOO combined coupling mechanism. The SO coupling mechanism in the four coupling mechanisms is the most important one, but the contributions to zero-field splitting parameter D from other three coupling mechanisms cannot be omitted.