Physics – Condensed Matter
Scientific paper
2004-01-07
Physics
Condensed Matter
To be published in PRB, 17 pages
Scientific paper
10.1103/PhysRevB.69.054434
The Raman, IR and force field have been investigated for A2Mn2O7 (A= Tl, In) by means of a short-range force constant model which includes four stretching and four bending force constants. Unusual spectral and force field changes are observed and analyzed. The stretching force constant Mn-O and A-O, are found to be relatively higher than those of other pyrochlore oxides of the A2Mn2O7 family, while the remaining force constant values are significantly smaller, especially for Tl2Mn2O7. This trend may be due to strong hybridization of the Tl (6s) orbital with O (2p) and Mn (3d). The assignment of all the modes has been proposed and potential energy distribution is also reported. The evaluated frequencies are close to the available observed infrared and Raman frequencies, giving further support to the present assignments.
Alonso Jose Antonio
Brown Sonal
Gupta Hem Chandra
Martínez-Lope María Jesús
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