Open AccessCALCULATION OF ZERO FIELD SPLITTING PARAMETERS OF 3d5 IONS IN LOW SYMMETRY CRYSTAL FIELD
Author(s) -
Guilin Yang,
Duan Ming-Qian,
Xu You,
Hongru Zhai
Publication year - 1984
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.33.110
Subject(s) - crystal (programming language) , ion , field (mathematics) , symmetry (geometry) , zero field splitting , zero (linguistics) , coupling constant , coupling parameter , physics , coupling (piping) , atomic physics , materials science , work (physics) , crystal field theory , spin–orbit interaction , condensed matter physics , molecular physics , quantum mechanics , geometry , mathematics , linguistics , philosophy , computer science , pure mathematics , metallurgy , programming language , spin polarization , electron
As a natural extension of work [4], in this paper the calculation of zero field splitting parameter D of 3d5 ions in low symmetry ( C4v or D4h,C3v or D3h ) crystal field is discussed. The expressions of parameter D in terms of Racah parameters, crystal field parameters and spin-orbit coupling constant ξ are obtained. Applying to Fe3+ in α -Al2O3 crystal, the calculated result agrees fairly well with the experimental value.