Premium
Calculation of a power spectrum and definition of wave functions of an ion Cr 3+ in antiferromagnetic crystal Cr 2 O 3 in the model of a crystalline field
Author(s) -
Nikiforov I. S.,
Filippov D. A.
Publication year - 2002
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.10219
Subject(s) - antiferromagnetism , ion , wave function , crystal (programming language) , energy (signal processing) , field (mathematics) , symmetry (geometry) , physics , energy spectrum , atomic physics , spectrum (functional analysis) , condensed matter physics , chemistry , quantum mechanics , mathematics , geometry , computer science , pure mathematics , programming language
The antiferromagnetic crystal Cr 2 O 3 contains magnetoactive ions Cr3 + and has C3v local symmetry. In this crystal exist cross‐effects, for example linear magnetoelectric effect and others. It is necessary to know the energy levels and wave functions of an ion Cr3 + exact simulation of this effect. In the present paper the problem of calculation of the crystalline field potential is solved in the single‐ion model. For Cr 2 O 3 the splitting of energy levels are determined and wave functions for ground and exited states are calculated. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002