Alternative crystal field parameters for rare-earth ions obtained from various techniques

• Published in: Journal of alloys and compounds 2009, Vol.467 (1), p.98-105
• Main Authors: Rudowicz, Czesław, Gnutek, Paweł, Lewandowska, Monika, Orłowski, Mariusz
• Format: Article
• Language: English
• Subjects: Crystal and ligand fields; Crystal structure and symmetry; High T c superconductors; Inelastic neutron scattering; Magnetic susceptibility; Mössbauer spectroscopy; NMR; Standardization of orthorhombic crystal-field Hamiltonians; TmBa 2Cu 4O 8
• ISSN: 0925-8388; 1873-4669
• DOI: 10.1016/j.jallcom.2007.12.096

In this series of papers, implications of two major properties of orthorhombic crystal field (CF) Hamiltonians for interpretation of CF data for rare-earth ions obtained from various experimental techniques are considered. These properties, i.e. existence of alternative (physically equivalent) CF parameter (CFP) sets and incorrectness of comparison of such alternative yet disparate CFP sets, appear not fully utilized in literature. The CFP sets for Tm 3+ in orthorhombic high T c superconductors TmBa 2Cu 4O 8 and TmBa 2Cu 3O 7− δ are reanalysed applying standardization and closeness of CFP sets. Correlated CFP sets are transformed to the same nominal standard axis system. Standardization transformations are used to generate alternative (standard and non-standard) CFP sets, which may be utilized in the multiple correlated fitting technique to improve reliability of final fitted CFPs. The discrepancies concerning orthorhombic CFPs, identified in Mössbauer spectroscopy studies of Tm 3+ ion in TmBa 2Cu 4O 8, are clarified. Misinterpretations of CF and structural data arising from usage of intrinsically incomparable CFP sets for similar ion–host systems are discussed.