Limitations on the extent of off-center displacements in TbMnO3 from EXAFS measurements

Abstract

We present EXAFS data at the Mn K and Tb L3 edges that provide upper limits on the possible displacements of any atoms in TbMnO3. The displacements must be less than 0.005-0.01A for all atoms which eliminates the possibility of moderate distortions (0.02A) with a small c-axis component, but for which the displacements in the ab plane average to zero. Assuming the polarization arises from a displacement of the O2 atoms along the c-axis, the measured polarization then leads to an O2 displacement that is at least 6X10^{-4}A, well below our experimental limit. Thus a combination of the EXAFS and the measured electrical polarization indicate that the atomic displacements likely lie in the range 6X10^{-4} - 5X10^{-3}A.

submitted to PRB; 11 pages (preprint form) 7 figures