Theory and experiment of the ESR of Co$^{2+}$ in Zn$_2$ % (OH)PO$_4$ and Mg$_2$(OH)AsO$_4$

Details Theory and experiment of the ESR of Co$^{2+}$ in Zn$_2$ % (OH)PO$_4$ and Mg$_2$(OH)AsO$_4$ Theory and experiment of the ESR of Co$^{2+}$ in Zn$_2$ % (OH)PO$_4$ and Mg$_2$(OH)AsO$_4$

2001-10-26

arxiv.org/abs/cond-mat/0110563v1

Physics

Condensed Matter

Materials Science

43 pages, LaTex file, 6 figures, EPS. submitted to Journal of Physics Condense

Scientific paper

10.1016/S0921-4526(02)00765-2

Experiments of Electron Spin Resonance (ESR) were performed on Co$% ^{2+}$ substituting Zn$^{2+}$ or Mg$^{2+}$ in powder samples of Zn$_2$(OH)PO$_4$ and Mg$_2$(OH)AsO$_4$. The observed resonances are described with a theoretical model that considers the departures from the two perfect structures. It is shown that the resonance in the penta-coordinated complex is allowed, and the crystal fields that would describe the resonance of the Co$^{2+}$ in the two environments are calculated. The small intensity of the resonance in the penta-coordinated complex is explained assuming that this site is much less populated than the octahedral one; this assumption was verified by a molecular calculation of the energies of the two environments, with both Co and Zn as central ions in Zn$_2$(OH)PO$_4$.

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