| Attributs | Valeurs |
|---|
| type
| |
| Is Part Of
| |
| Subject
| |
| Title
| - Optical Spectroscopy and Density Functional Calculations of Chromium(V)-Doped YVO4and YPO4: Influence of the Second Coordination Sphere
|
| has manifestation of work
| |
| related by
| |
| Author
| |
| Abstract
| - For YVO4:Cr(V) and YPO4:Cr(V) the electronic ground state is different from the one expected on the basis of an Angular Overlap calculation in which only the four oxygen ligands are taken into account. This is due to a strong interaction of the Cr(V) ion with two Y3+ ions in its second coordination sphere. These conclusions are reached on the basis of low temperature polarized single-crystal spectra, luminescence spectra and density functional calculations.
- Low temperature polarized single-crystal absorption and luminescence spectra of Cr(V)-doped YVO4 and thepowder luminescence spectrum of Cr(V)-doped YPO4 are reported and discussed. A rich fine structure and strongpolarization effects are observed in the near-infrared. Due to a strong interaction of the Cr(V) ion with two Y3+ions in the second coordination sphere of the Cr(V) ion, the electronic ground state is different from the oneexpected on the basis of an angular overlap calculation in which only the four oxygen ligands are taken intoaccount. This effect of the Y3+ ions on the ground state of Cr(V) is confirmed by a density functional calculationand by literature EPR data. CrO43- bending modes are responsible for the fine structure in the d−d transition andthe resulting distortion in the emitting excited state.
|
| article type
| |
| is part of this journal
| |
