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Correlations of the 63 Cu NQR/NMR Data with the 67 Cu( 67 Zn) Emission Mössbauer Data for HTSC Lattices as a Tool for the Determination of Atomic Charges
Author(s) -
Seregin P. P.,
Masterov V. F.,
Nasredinov F. S.,
Seregin N. P.
Publication year - 1997
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/1521-3951(199705)201:1<269::aid-pssb269>3.0.co;2-d
Subject(s) - electric field gradient , quadrupole , mössbauer spectroscopy , nuclear quadrupole resonance , copper , mössbauer effect , chemistry , lattice (music) , coupling constant , tensor (intrinsic definition) , spectroscopy , linear correlation , condensed matter physics , physics , atomic physics , crystallography , mathematics , organic chemistry , particle physics , quantum mechanics , pure mathematics , acoustics , statistics
A linear correlation between the quadrupole coupling constants C (Cu) measured by the 63 Cu NQR/NMR technique on the one hand and C (Zn) measured by the 67 Cu/ 67 Zn emission Mössbauer spectroscopy on the other hand has been found. The deviation from the linear dependence for a particular substance indicates a considerable difference of the copper charge state from 2+ or different orientations of the z ‐axes for the total and lattice electric field gradient (EFG) tensors on 63 Cu. A similar deviation from the linear dependence of C (Cu) on the principal component of the lattice EFG tensor calculated for the copper sites permits to find a difference of the accepted model from the actual charge distribution in the HTSC lattice sites.