Bromine metallization studied by X-ray absorption spectroscopy |
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Authors: | A San Miguel H Libotte JP Gaspard M Gauthier JP Itié A Polian |
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Institution: | (1) National Institute for Materials Physics, 76900 Bucharest, Romania, |
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Abstract: | The experimental data carried out by M?ssbauer and magnetic resonances investigations of the structural phase transitions
in K2ZnCl4 crystals are discussed by a simple electrostatic model, calculating, the lattice contributions to the local electric potential
V(r), electric field intensity E(r) and electric field gradient tensor, (r) and taking into account both the fractional electric point charges and rigid lattice approximations. The validity of the
model is proved by a good fit of the computing results and experimental data of quadrupole splitting parameters at K sites
obtained by 39K-NMR methods in high temperature incommensurate phase ( Pnam symmetry). The experimental results obtained by M?ssbauer and EPR methods in commensurate phase (Pna21
symmetry) of iron and copper doped K2ZnCl4 crystals are explained by relaxing the rigid lattice approximation. The insertion of probe ions appear to be done on not-exactly-Zn2+ site.
Received 3 February 1999 and Received in final form 4 May 1999 |
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Keywords: | PACS 76 80 +y M?ssbauer effect other -ray spectroscopy |
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