J. Seliger et V. Zagar, TEMPERATURE DEPENDENCES OF THE K-39 AND RB-85 QUADRUPOLE COUPLING-CONSTANTS IN PARAELECTRIC KH2PO4, KH2ASO4, RBH2PO4, AND RBH2ASO4, Physical review. B, Condensed matter, 49(21), 1994, pp. 14918-14924
Temperature dependences of K-39 Rb-85 nuclear-quadrupole resonance fre
quencies have been measured in tetragonal paraelectric phases of KH2PO
4, KH2AsO4, RbH2PO4, and RbH2AsO4. The measured quadrupole coupling co
nstants are compared to the quadrupole coupling constants calculated i
n a point-charge model in which a cation bears a positive charge e whe
reas the negative charge -e of a PO4- or AsO4- ion is, in a time avera
ge, equally shared by the four oxygen atoms. The influence of the anis
otropic thermal expansion of the crystal lattices on the temperature d
ependence of the quadrupole coupling constants is calculated in the sa
me model. Both the calculated and measured quadrupole coupling constan
ts as well as the calculated and measured temperature coefficients of
the quadrupole coupling constants agree within the experimental error.
Thus the ''antiferroelectric'' Slater configurations of the H2PO4 and
of the H2AsO4 groups which seem to have a strong influence on the As-
75 NQR frequencies in the tetragonal paraelectric phase are of a local
nature and they have nearly no influence on the potassium and rubidiu
m NQR frequencies.