Atomic charges in RBa<sub>2</sub>Cu<sub>4</sub>O<sub>8</sub> lattices, determined by comparison of experimental and calculated nuclear quadrupole interaction parameters
F S Nasredinov; V F Masterov; N P Seregin; P P Seregin; F S Nasredinov; St Petersburg State Technical University, 29 Polytekhnicheskaya Street 195251, St Petersburg, Russia; V F Masterov; St Petersburg State Technical University, 29 Polytekhnicheskaya Street 195251, St Petersburg, Russia; N P Seregin; St Petersburg State Technical University, 29 Polytekhnicheskaya Street 195251, St Petersburg, Russia; P P Seregin; St Petersburg State Technical University, 29 Polytekhnicheskaya Street 195251, St Petersburg, Russia
Журнал:
Journal of Physics: Condensed Matter
Дата:
1999-10-25
Аннотация:
Nuclear quadrupole interaction parameters have been determined for the rare-earth and copper sites of the RBa<sub>2</sub>Cu<sub>4</sub>O<sub>8</sub> lattices (R = Sm, Y, Er) by <sup>67</sup>Cu(<sup>67</sup>Zn) and <sup>67</sup>Ga(<sup>67</sup>Zn) emission Mössbauer spectroscopy. The lattice electric field gradient tensors have been calculated for all sites of the above lattices using the point charge approximation. A comparison of the measured and calculated parameters has shown that in the RBa<sub>2</sub>Cu<sub>4</sub>O<sub>8</sub> lattices holes are predominantly confined to the oxygen chain sublattices.
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